2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid

C12H15NO4 — CID 50877497

IUPAC2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
SMILESCC(CO)N(C)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(7-14)13(2)11(15)9-5-3-4-6-10(9)12(16)17/h3-6,8,14H,7H2,1-2H3,(H,16,17)
InChIKeyFFGVABVAHRQEDU-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.84
Rot. Bonds4

About 2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid

2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid (PubChem CID 50877497) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
PubChem CID50877497
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
SMILESCC(CO)N(C)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(7-14)13(2)11(15)9-5-3-4-6-10(9)12(16)17/h3-6,8,14H,7H2,1-2H3,(H,16,17)
InChIKeyFFGVABVAHRQEDU-UHFFFAOYSA-N
XLogP0.84
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid
CID 50877562
N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 104552913
2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104553452
2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 115869357
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115869389
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104551638
2-[methyl(3-methylbutyl)carbamoyl]benzoic acid
CID 60948718
3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 113426327
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 109388309
N-(1-hydroxypropan-2-yl)-N,2-dimethyl-3-nitrobenzamide
CID 112704636
3-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 82482408

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid (CID 50877497) is 2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid is CC(CO)N(C)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid?
The InChIKey is FFGVABVAHRQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(7-14)13(2)11(15)9-5-3-4-6-10(9)12(16)17/h3-6,8,14H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid?
2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid is sourced from PubChem (CID 50877497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).