3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid

C14H13N3O4 — CID 43358338

IUPAC3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C14H13N3O4/c1-9-4-2-5-10(13(19)20)12(9)16-11(18)8-17-7-3-6-15-14(17)21/h2-7H,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyFODBPKURQYSCFB-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.89
Rot. Bonds4

About 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid

3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid (PubChem CID 43358338) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
PubChem CID43358338
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C14H13N3O4/c1-9-4-2-5-10(13(19)20)12(9)16-11(18)8-17-7-3-6-15-14(17)21/h2-7H,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyFODBPKURQYSCFB-UHFFFAOYSA-N
XLogP0.89
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 81495087
4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43355938
2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358285
2-(2-oxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39954106
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397
3-methyl-2-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461235
3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 60869768
2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
CID 69328399
3-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid
CID 43171851
1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323747
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 64794096

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid (CID 43358338) is 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid is Cc1cccc(C(=O)O)c1NC(=O)Cn1cccnc1=O.
What is the InChIKey of 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
The InChIKey is FODBPKURQYSCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9-4-2-5-10(13(19)20)12(9)16-11(18)8-17-7-3-6-15-14(17)21/h2-7H,8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid has a molecular weight of 287.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 43358338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).