3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid

C15H19NO3 — CID 55001659

IUPAC3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid
SMILESCC(C)CN(C(=O)c1cccc(C(=O)O)c1)C1CC1
InChIInChI=1S/C15H19NO3/c1-10(2)9-16(13-6-7-13)14(17)11-4-3-5-12(8-11)15(18)19/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyFLYAGOJZMYSZPF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.65
Rot. Bonds5

About 3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid

3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid (PubChem CID 55001659) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid
PubChem CID55001659
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid
SMILESCC(C)CN(C(=O)c1cccc(C(=O)O)c1)C1CC1
InChIInChI=1S/C15H19NO3/c1-10(2)9-16(13-6-7-13)14(17)11-4-3-5-12(8-11)15(18)19/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyFLYAGOJZMYSZPF-UHFFFAOYSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
4-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119292306
3-(4-benzylpiperazin-1-yl)sulfonyl-N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 55608837
3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 61107794
2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 60749864
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)benzamide
CID 18573583
3-[cyclopropyl-(3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 82326055
3-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 78973685
3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
CID 62338581
2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 65349343

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid (CID 55001659) is 3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid is CC(C)CN(C(=O)c1cccc(C(=O)O)c1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid?
The InChIKey is FLYAGOJZMYSZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)9-16(13-6-7-13)14(17)11-4-3-5-12(8-11)15(18)19/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid?
3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid is sourced from PubChem (CID 55001659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).