(3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid

C8H11N3O3 — CID 130689668

IUPAC(3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid
SMILESNc1c[nH]cc([C@@H](N)CC(=O)O)c1=O
InChIInChI=1S/C8H11N3O3/c9-5(1-7(12)13)4-2-11-3-6(10)8(4)14/h2-3,5H,1,9-10H2,(H,11,14)(H,12,13)/t5-/m0/s1
InChIKeyONZAIINRNUZJRG-YFKPBYRVSA-N
MW197.19 g/mol
LogP-0.57
Rot. Bonds3

About (3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid

(3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid (PubChem CID 130689668) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid
PubChem CID130689668
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name(3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid
SMILESNc1c[nH]cc([C@@H](N)CC(=O)O)c1=O
InChIInChI=1S/C8H11N3O3/c9-5(1-7(12)13)4-2-11-3-6(10)8(4)14/h2-3,5H,1,9-10H2,(H,11,14)(H,12,13)/t5-/m0/s1
InChIKeyONZAIINRNUZJRG-YFKPBYRVSA-N
XLogP-0.57
TPSA122.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(4-methyl-1H-pyrrol-3-yl)propanoic acid
CID 130676194
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CID 55268840
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid
CID 55269173
(3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid
CID 130725471
3-amino-3-(2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid
CID 83530111
(3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol
CID 130673702
(3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid
CID 130667167
(3S)-3-amino-3-(2-bromo-1H-pyrrol-3-yl)propanoic acid
CID 130718416
(3S)-3-amino-3-(2-amino-3-methylphenyl)propanoic acid
CID 131076446
3-amino-3-(1,3-dimethyl-2-oxobenzimidazol-4-yl)propanoic acid
CID 117375732
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid (CID 130689668) is (3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid is Nc1c[nH]cc([C@@H](N)CC(=O)O)c1=O.
What is the InChIKey of (3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid?
The InChIKey is ONZAIINRNUZJRG-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-5(1-7(12)13)4-2-11-3-6(10)8(4)14/h2-3,5H,1,9-10H2,(H,11,14)(H,12,13)/t5-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid?
(3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid is sourced from PubChem (CID 130689668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).