3-(3-amino-2-oxo-1-pyridinyl)propanoic acid

C8H10N2O3 — CID 62102452

IUPAC3-(3-amino-2-oxo-1-pyridinyl)propanoic acid
SMILESNc1cccn(CCC(=O)O)c1=O
InChIInChI=1S/C8H10N2O3/c9-6-2-1-4-10(8(6)13)5-3-7(11)12/h1-2,4H,3,5,9H2,(H,11,12)
InChIKeyPCCBWVCJVDWBKN-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.09
Rot. Bonds3

About 3-(3-amino-2-oxo-1-pyridinyl)propanoic acid

3-(3-amino-2-oxo-1-pyridinyl)propanoic acid (PubChem CID 62102452) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(3-amino-2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-amino-2-oxo-1-pyridinyl)propanoic acid
PubChem CID62102452
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-(3-amino-2-oxo-1-pyridinyl)propanoic acid
SMILESNc1cccn(CCC(=O)O)c1=O
InChIInChI=1S/C8H10N2O3/c9-6-2-1-4-10(8(6)13)5-3-7(11)12/h1-2,4H,3,5,9H2,(H,11,12)
InChIKeyPCCBWVCJVDWBKN-UHFFFAOYSA-N
XLogP-0.09
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Oxo-1,2-dihydropyridin-1-yl)propanoic acid
CID 288086
(3-Amino-2-oxopyridin-1(2H)-yl)acetic acid
CID 18469040
2-(3-Amino-2-oxo-1,2-dihydropyridin-1-yl)acetic acid hydrochloride
CID 71757205
2-Amino-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 81318580
Methyl 3-(3-amino-6-methyl-2-oxo-1-pyridinyl)propanoate
CID 12147019
2-(3-Amino-2-oxo-1-pyridinyl)-2-methylpropanoic acid
CID 22104300
2-[(3E,5Z,7Z)-3-amino-2-oxoazocin-1-yl]propanoic acid
CID 23322538
2-(3-Amino-2-oxo-1,2-dihydropyridin-1-yl)propanoic acid
CID 53717543
2-(3-Amino-6-methyl-2-oxo-1-pyridinyl)propanoic acid
CID 53826519
2-(3-Amino-2-oxoazocin-1-yl)propanoic acid
CID 54336829
2-Amino-3-(2-oxo-1-pyridinyl)propanoic acid
CID 57177005
2-(3-Amino-2-oxo-1,2-dihydropyridin-1-yl)butanoic acid
CID 57187060

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-amino-2-oxo-1-pyridinyl)propanoic acid (CID 62102452) is 3-(3-amino-2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-amino-2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-amino-2-oxo-1-pyridinyl)propanoic acid is Nc1cccn(CCC(=O)O)c1=O.
What is the InChIKey of 3-(3-amino-2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is PCCBWVCJVDWBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-6-2-1-4-10(8(6)13)5-3-7(11)12/h1-2,4H,3,5,9H2,(H,11,12).
What are the key properties of 3-(3-amino-2-oxo-1-pyridinyl)propanoic acid?
3-(3-amino-2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 62102452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).