3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C9H10N2O4 — CID 24700063

IUPAC3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H10N2O4/c12-7-2-1-6(5-11-7)9(15)10-4-3-8(13)14/h1-2,5H,3-4H2,(H,10,15)(H,11,12)(H,13,14)
InChIKeyBKOYMRCKQQELAC-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.42
Rot. Bonds4

About 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 24700063) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID24700063
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H10N2O4/c12-7-2-1-6(5-11-7)9(15)10-4-3-8(13)14/h1-2,5H,3-4H2,(H,10,15)(H,11,12)(H,13,14)
InChIKeyBKOYMRCKQQELAC-UHFFFAOYSA-N
XLogP-0.42
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24699948
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CID 28826330
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CID 43417829
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CID 57861621
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CID 59440444
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CID 61806863
CID 61806863
CID 66717180
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CID 66761719
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CID 70820583
CID 70820583

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 24700063) is 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is BKOYMRCKQQELAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-7-2-1-6(5-11-7)9(15)10-4-3-8(13)14/h1-2,5H,3-4H2,(H,10,15)(H,11,12)(H,13,14).
What are the key properties of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 210.19 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 24700063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).