CAS
959576-95-5 Purity
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959576-95-5 Purity
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trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid
CAS
959577-51-6
Catalog Number
ACM959577516
Category
Other Products
Molecular Weight
336.339800 [g/mol]
Molecular Formula
C16H20N2O6
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Specification
Synonyms
959577-51-6, Trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid, A845514, Boc-(trans-4-(2-nitro-phenyl)-pyrrolidine-3-carboxylic acid, 1-tert-butoxycarbonyl-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid, 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(2-nitrophenyl)-3-pyrrolidinecarboxylic acid, 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid
IUPAC Name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid
InChI Key
XZSAMWCPQNCJPS-UHFFFAOYSA-N
Exact Mass
336.13200
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?
The molecular formula is C16H20N2O6.
When was trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid created?
It was created on July 19, 2005.
What is the molecular weight of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?
The molecular weight is 336.34 g/mol.
How many hydrogen bond donor counts are there in trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?
The topological polar surface area is 113 Å2.
Is trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid a canonicalized compound?
Yes, it is a canonicalized compound.
What is the Canonical SMILES of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?
CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=CC=C2[N+](=O)[O-]
How many defined atom stereocenter counts are there in trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?
There are 2 defined atom stereocenter counts.
What is the XLogP3-AA value of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?
The XLogP3-AA value is 2.
What is the InChIKey of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XZSAMWCPQNCJPS-NWDGAFQWSA-N.
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