2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid

C8H10N2O3 — CID 10081037

IUPAC2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid
SMILESNC(Cc1cc[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C8H10N2O3/c9-6(8(12)13)3-5-1-2-10-7(11)4-5/h1-2,4,6H,3,9H2,(H,10,11)(H,12,13)
InChIKeyMNNKGGLOPMHVRG-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.67
Rot. Bonds3

About 2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid

2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid (PubChem CID 10081037) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid
PubChem CID10081037
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid
SMILESNC(Cc1cc[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C8H10N2O3/c9-6(8(12)13)3-5-1-2-10-7(11)4-5/h1-2,4,6H,3,9H2,(H,10,11)(H,12,13)
InChIKeyMNNKGGLOPMHVRG-UHFFFAOYSA-N
XLogP-0.67
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid (CID 10081037) is 2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid is NC(Cc1cc[nH]c(=O)c1)C(=O)O.
What is the InChIKey of 2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid?
The InChIKey is MNNKGGLOPMHVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-6(8(12)13)3-5-1-2-10-7(11)4-5/h1-2,4,6H,3,9H2,(H,10,11)(H,12,13).
What are the key properties of 2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid?
2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid is sourced from PubChem (CID 10081037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).