2-(acetamidomethylcarbamoyl)benzoic acid

C11H12N2O4 — CID 170089570

IUPAC2-(acetamidomethylcarbamoyl)benzoic acid
SMILESCC(=O)NCNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C11H12N2O4/c1-7(14)12-6-13-10(15)8-4-2-3-5-9(8)11(16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyNURWGGYMJLOFLV-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.21
Rot. Bonds4

About 2-(acetamidomethylcarbamoyl)benzoic acid

2-(acetamidomethylcarbamoyl)benzoic acid (PubChem CID 170089570) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(acetamidomethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(acetamidomethylcarbamoyl)benzoic acid
PubChem CID170089570
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-(acetamidomethylcarbamoyl)benzoic acid
SMILESCC(=O)NCNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C11H12N2O4/c1-7(14)12-6-13-10(15)8-4-2-3-5-9(8)11(16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyNURWGGYMJLOFLV-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(ethylcarbamoyl)benzoic acid;propan-2-one
CID 90945559
2-(trimethylsilylmethylcarbamoyl)benzoic acid
CID 59089159
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid
CID 43567862
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
CID 66717184
CID 66717184
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid
CID 102903651
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]benzoic acid
CID 60933200
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114132536
2-[2-(2-acetamidoethylamino)-2-oxoethyl]benzoic acid
CID 112568591
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-[2-(2-ethylbutanoylamino)ethylcarbamoyl]benzoic acid
CID 113083346
2-[(3-hydroxy-2-methylpropyl)carbamoyl]benzoic acid
CID 65034048

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethylcarbamoyl)benzoic acid?
The IUPAC name of 2-(acetamidomethylcarbamoyl)benzoic acid (CID 170089570) is 2-(acetamidomethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(acetamidomethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(acetamidomethylcarbamoyl)benzoic acid is CC(=O)NCNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(acetamidomethylcarbamoyl)benzoic acid?
The InChIKey is NURWGGYMJLOFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-7(14)12-6-13-10(15)8-4-2-3-5-9(8)11(16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-(acetamidomethylcarbamoyl)benzoic acid?
2-(acetamidomethylcarbamoyl)benzoic acid has a molecular weight of 236.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethylcarbamoyl)benzoic acid is sourced from PubChem (CID 170089570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).