(3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid

C9H10N2O3 — CID 169109798

IUPAC(3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid
SMILESN[C@@H](Cc1ccncc1)C(=O)C(=O)O
InChIInChI=1S/C9H10N2O3/c10-7(8(12)9(13)14)5-6-1-3-11-4-2-6/h1-4,7H,5,10H2,(H,13,14)/t7-/m0/s1
InChIKeyLOEGCNQJNUVQSB-ZETCQYMHSA-N
MW194.19 g/mol
LogP-0.39
Rot. Bonds4

About (3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid

(3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid (PubChem CID 169109798) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid
PubChem CID169109798
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid
SMILESN[C@@H](Cc1ccncc1)C(=O)C(=O)O
InChIInChI=1S/C9H10N2O3/c10-7(8(12)9(13)14)5-6-1-3-11-4-2-6/h1-4,7H,5,10H2,(H,13,14)/t7-/m0/s1
InChIKeyLOEGCNQJNUVQSB-ZETCQYMHSA-N
XLogP-0.39
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

S-methyl (2S)-2-amino-3-pyridin-4-ylpropanethioate
CID 167273372
(2S)-2-amino-N,N-dimethyl-3-pyridin-4-ylpropanamide
CID 67430342
(2R,4R)-2-amino-4-(pyridin-4-ylmethyl)pentanedioic acid
CID 25418979
(4R)-4-amino-5-pyridin-4-ylpentanoic acid
CID 66644679
(2S)-2-amino-3-pyridin-4-ylpropanal
CID 22827621
(2S)-2-amino-3-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]propanoic acid
CID 146352515
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
(3R)-3-methyl-4-pyridin-4-ylbutan-2-one
CID 130031436
4-amino-5-phenylpentane-2,3-dione
CID 20504562
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 61148298
methyl (2S)-2-amino-3-(4-pyridin-4-ylphenyl)propanoate
CID 66719580
2-[[(2S)-2-amino-3-pyridin-4-ylpropanoyl]amino]-2-methylpropanoyl iodide
CID 175802703

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid?
The IUPAC name of (3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid (CID 169109798) is (3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid.
What is the SMILES notation for (3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid?
The canonical SMILES for (3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid is N[C@@H](Cc1ccncc1)C(=O)C(=O)O.
What is the InChIKey of (3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid?
The InChIKey is LOEGCNQJNUVQSB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-7(8(12)9(13)14)5-6-1-3-11-4-2-6/h1-4,7H,5,10H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid?
(3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid has a molecular weight of 194.19 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 169109798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).