(2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid

C8H10N2O3 — CID 55291923

IUPAC(2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid
SMILESN[C@H](Cc1ccc(=O)[nH]c1)C(=O)O
InChIInChI=1S/C8H10N2O3/c9-6(8(12)13)3-5-1-2-7(11)10-4-5/h1-2,4,6H,3,9H2,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyYBGXFPUFAGQFCZ-ZCFIWIBFSA-N
MW182.18 g/mol
LogP-0.67
Rot. Bonds3

About (2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid

(2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid (PubChem CID 55291923) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid
PubChem CID55291923
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid
SMILESN[C@H](Cc1ccc(=O)[nH]c1)C(=O)O
InChIInChI=1S/C8H10N2O3/c9-6(8(12)13)3-5-1-2-7(11)10-4-5/h1-2,4,6H,3,9H2,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyYBGXFPUFAGQFCZ-ZCFIWIBFSA-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 (2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid (CID 55291923) is (2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid is N[C@H](Cc1ccc(=O)[nH]c1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid?
The InChIKey is YBGXFPUFAGQFCZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-6(8(12)13)3-5-1-2-7(11)10-4-5/h1-2,4,6H,3,9H2,(H,10,11)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid?
(2R)-2-amino-3-(6-oxo-1H-pyridin-3-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 (2R)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid is sourced from PubChem (CID 55291923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).