CAS
99-14-9 Purity
98%
99-14-9 Purity
98%
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2-[[(2R)-2-acetamido-3-methyl-butanoyl]-nitroso-amino]acetic acid
CAS
99152-10-0
Catalog Number
ACM99152100
Category
Other Products
Molecular Formula
C9H15N3O5
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Specification
Synonyms
2-[[(2R)-2-acetamido-3-methyl-butanoyl]-nitroso-amino]acetic acid;N-(N-acetylvalyl)-N-nitrosoglycine
IUPAC Name
2-[[(2R)-2-acetamido-3-methylbutanoyl]-nitrosoamino]acetic acid
SMILES
CC(C)C(C(=O)N(CC(=O)O)N=O)NC(=O)C
InChI Key
XZUXDHWLWRENOL-MRVPVSSYSA-N
Density
1.35g/cm³
Exact Mass
245.10100
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C9H15N3O5.
When was the compound created and modified?
The compound was created on 2005-08-08 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[[(2R)-2-acetamido-3-methylbutanoyl]-nitrosoamino]acetic acid.
What is the InChIKey of the compound?
The InChIKey of the compound is XZUXDHWLWRENOL-MRVPVSSYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC(C)C(C(=O)N(CC(=O)O)N=O)NC(=O)C.
What is the molecular weight of the compound?
The molecular weight of the compound is 245.23 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 6 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 116 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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