(2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride

C8H12ClN3O2 — CID 171108500

IUPAC(2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
SMILESCl.NC(=O)[C@@H](N)Cc1ccc[nH]c1=O
InChIInChI=1S/C8H11N3O2.ClH/c9-6(7(10)12)4-5-2-1-3-11-8(5)13;/h1-3,6H,4,9H2,(H2,10,12)(H,11,13);1H/t6-;/m0./s1
InChIKeyCRKQFXUTLWCFGW-RGMNGODLSA-N
MW217.66 g/mol
LogP-0.85
Rot. Bonds3

About (2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride

(2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride (PubChem CID 171108500) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
PubChem CID171108500
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name(2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
SMILESCl.NC(=O)[C@@H](N)Cc1ccc[nH]c1=O
InChIInChI=1S/C8H11N3O2.ClH/c9-6(7(10)12)4-5-2-1-3-11-8(5)13;/h1-3,6H,4,9H2,(H2,10,12)(H,11,13);1H/t6-;/m0./s1
InChIKeyCRKQFXUTLWCFGW-RGMNGODLSA-N
XLogP-0.85
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22326309
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CID 55273449
2-amino-3-(1-methyl-2-oxo-3-pyridinyl)propanamide
CID 170632101
2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
3-(2-fluoroethyl)-1H-pyridin-2-one
CID 169148755
2-amino-3-phenylpropanoic acid;1,4-dihydropyrazine-2,3-dione
CID 175303624
(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
CID 162344777
2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 177249673
2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide
CID 170632452
3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one
CID 83890200
2-amino-3-(2-methyl-3-nitrophenyl)propanamide
CID 64990652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride (CID 171108500) is (2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride is Cl.NC(=O)[C@@H](N)Cc1ccc[nH]c1=O.
What is the InChIKey of (2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride?
The InChIKey is CRKQFXUTLWCFGW-RGMNGODLSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c9-6(7(10)12)4-5-2-1-3-11-8(5)13;/h1-3,6H,4,9H2,(H2,10,12)(H,11,13);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride?
(2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 171108500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).