3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C9H9ClN2O4 — CID 70820583

IUPAC3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C9H9ClN2O4/c10-6-3-5(4-12-9(6)16)8(15)11-2-1-7(13)14/h3-4H,1-2H2,(H,11,15)(H,12,16)(H,13,14)
InChIKeyYNMWPUFHCRXPEK-UHFFFAOYSA-N
MW244.63 g/mol
LogP0.23
Rot. Bonds4

About 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 70820583) has the molecular formula C9H9ClN2O4 and a molecular weight of 244.63 g/mol. Its IUPAC name is 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID70820583
Molecular FormulaC9H9ClN2O4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Name3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C9H9ClN2O4/c10-6-3-5(4-12-9(6)16)8(15)11-2-1-7(13)14/h3-4H,1-2H2,(H,11,15)(H,12,16)(H,13,14)
InChIKeyYNMWPUFHCRXPEK-UHFFFAOYSA-N
XLogP0.23
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoylamino]propanoic acid
CID 82031282
3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 24700063
ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 47437536
3-[5-(Methylcarbamoyl)-2-oxo-1-pyridinyl]propanoic acid
CID 57861621
5-chloro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid
CID 160559139
3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 43242047
3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 54898737
2-methyl-3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 55008575
3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 55122810
3-[tert-butyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 60825134
3-[(6-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 60830554
3-[cyclopropyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 60844862

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 70820583) is 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is YNMWPUFHCRXPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O4/c10-6-3-5(4-12-9(6)16)8(15)11-2-1-7(13)14/h3-4H,1-2H2,(H,11,15)(H,12,16)(H,13,14).
What are the key properties of 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 244.63 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 70820583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).