4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid

C11H12N2O4 — CID 43414345

IUPAC4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid
SMILESCNC(=O)CNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H12N2O4/c1-12-9(14)6-13-10(15)7-2-4-8(5-3-7)11(16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyBUXGPDZMCQVNSD-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.14
Rot. Bonds4

About 4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid

4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid (PubChem CID 43414345) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid
PubChem CID43414345
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid
SMILESCNC(=O)CNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H12N2O4/c1-12-9(14)6-13-10(15)7-2-4-8(5-3-7)11(16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyBUXGPDZMCQVNSD-UHFFFAOYSA-N
XLogP-0.14
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 58188881
6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43427330
4-[[[2-(methylamino)-2-oxoethyl]carbamoylamino]methyl]benzoic acid
CID 61198185
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
4-[2-(methylamino)-2-oxoethyl]benzoic acid
CID 139022603
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114134240
4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55163644
4-(3,3-dimethylbutylcarbamoyl)benzoic acid
CID 113227854
2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 38004196
4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 51966010
2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 61293980

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid (CID 43414345) is 4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid is CNC(=O)CNC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid?
The InChIKey is BUXGPDZMCQVNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-12-9(14)6-13-10(15)7-2-4-8(5-3-7)11(16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid?
4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid has a molecular weight of 236.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid is sourced from PubChem (CID 43414345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).