2-(4-methylpentan-2-ylcarbamoyl)benzoic acid

C14H19NO3 — CID 43529160

IUPAC2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
SMILESCC(C)CC(C)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-9(2)8-10(3)15-13(16)11-6-4-5-7-12(11)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyALJLSGYRPNEJSM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.55
Rot. Bonds5

About 2-(4-methylpentan-2-ylcarbamoyl)benzoic acid

2-(4-methylpentan-2-ylcarbamoyl)benzoic acid (PubChem CID 43529160) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-methylpentan-2-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
PubChem CID43529160
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
SMILESCC(C)CC(C)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-9(2)8-10(3)15-13(16)11-6-4-5-7-12(11)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyALJLSGYRPNEJSM-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
CID 60940712
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224
2-[3-(4-methylpentan-2-ylamino)-3-oxopropyl]benzoic acid
CID 120550293
3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43371726
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
CID 113331662
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-(4-methylpentan-2-ylcarbamoyl)benzoic acid (CID 43529160) is 2-(4-methylpentan-2-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(4-methylpentan-2-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(4-methylpentan-2-ylcarbamoyl)benzoic acid is CC(C)CC(C)NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(4-methylpentan-2-ylcarbamoyl)benzoic acid?
The InChIKey is ALJLSGYRPNEJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)8-10(3)15-13(16)11-6-4-5-7-12(11)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-(4-methylpentan-2-ylcarbamoyl)benzoic acid?
2-(4-methylpentan-2-ylcarbamoyl)benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 43529160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).