3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid

C13H12N2O4S — CID 106703085

IUPAC3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1cc[nH]c(=O)c1)c1cccs1
InChIInChI=1S/C13H12N2O4S/c16-11-6-8(3-4-14-11)13(19)15-9(7-12(17)18)10-2-1-5-20-10/h1-6,9H,7H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyDOIKQJGNUKYYSB-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.38
Rot. Bonds5

About 3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid

3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid (PubChem CID 106703085) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
PubChem CID106703085
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1cc[nH]c(=O)c1)c1cccs1
InChIInChI=1S/C13H12N2O4S/c16-11-6-8(3-4-14-11)13(19)15-9(7-12(17)18)10-2-1-5-20-10/h1-6,9H,7H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyDOIKQJGNUKYYSB-UHFFFAOYSA-N
XLogP1.38
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-aminobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 43712134
3-[(5-iodothiophene-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 79693778
3-[(4-bromo-3-chlorobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 81295751
(3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 97337209
3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 75512233
3-[(2-iodobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350832
4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 114039670
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 104580697
3-[(2-aminobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61213668
3-(1H-pyrrol-2-ylmethylamino)-3-thiophen-2-ylpropanoic acid
CID 62329407
6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 61381400
methyl 3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 46514863

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid (CID 106703085) is 3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid is O=C(O)CC(NC(=O)c1cc[nH]c(=O)c1)c1cccs1.
What is the InChIKey of 3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
The InChIKey is DOIKQJGNUKYYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-11-6-8(3-4-14-11)13(19)15-9(7-12(17)18)10-2-1-5-20-10/h1-6,9H,7H2,(H,14,16)(H,15,19)(H,17,18).
What are the key properties of 3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid has a molecular weight of 292.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 106703085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).