3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid

C12H15NO4 — CID 62338581

IUPAC3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
SMILESCC(O)CN(C)C(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-8(14)7-13(2)11(15)9-4-3-5-10(6-9)12(16)17/h3-6,8,14H,7H2,1-2H3,(H,16,17)
InChIKeyLLJWOHUCSWTEFG-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.84
Rot. Bonds4

About 3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid

3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid (PubChem CID 62338581) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
PubChem CID62338581
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
SMILESCC(O)CN(C)C(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-8(14)7-13(2)11(15)9-4-3-5-10(6-9)12(16)17/h3-6,8,14H,7H2,1-2H3,(H,16,17)
InChIKeyLLJWOHUCSWTEFG-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

3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 43452633
3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid
CID 120695866
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide
CID 62876403
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid
CID 55001659
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
N-(2-chloropropyl)-N,3-dimethylbenzamide
CID 63393760
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697
methyl 3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]carbamoyl]benzoate
CID 97259895
4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide
CID 146272515
N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide
CID 103769304

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid (CID 62338581) is 3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid is CC(O)CN(C)C(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid?
The InChIKey is LLJWOHUCSWTEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(14)7-13(2)11(15)9-4-3-5-10(6-9)12(16)17/h3-6,8,14H,7H2,1-2H3,(H,16,17).
What are the key properties of 3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid?
3-[2-hydroxypropyl(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 3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid is sourced from PubChem (CID 62338581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).