3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid

C19H26N2O4 — CID 120689451

IUPAC3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC)C(=O)c1ccc(C(=O)N(CC(C)C(=O)O)C2CC2)cc1
InChIInChI=1S/C19H26N2O4/c1-4-20(5-2)17(22)14-6-8-15(9-7-14)18(23)21(16-10-11-16)12-13(3)19(24)25/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,24,25)
InChIKeyLVWNYJCPBOMJIU-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.49
Rot. Bonds8

About 3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid

3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid (PubChem CID 120689451) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
PubChem CID120689451
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC)C(=O)c1ccc(C(=O)N(CC(C)C(=O)O)C2CC2)cc1
InChIInChI=1S/C19H26N2O4/c1-4-20(5-2)17(22)14-6-8-15(9-7-14)18(23)21(16-10-11-16)12-13(3)19(24)25/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,24,25)
InChIKeyLVWNYJCPBOMJIU-UHFFFAOYSA-N
XLogP2.49
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011
(2S)-3-[cyclopropyl-(3-fluoro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 124691127
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
3-[cyclopropyl(3,4-dihydro-1H-isochromene-6-carbonyl)amino]-2-methylpropanoic acid
CID 136552014
3-[cyclopropyl-(3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 82326055
3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 120535265
3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 120535230
3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid
CID 120535398

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid (CID 120689451) is 3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid is CCN(CC)C(=O)c1ccc(C(=O)N(CC(C)C(=O)O)C2CC2)cc1.
What is the InChIKey of 3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid?
The InChIKey is LVWNYJCPBOMJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-20(5-2)17(22)14-6-8-15(9-7-14)18(23)21(16-10-11-16)12-13(3)19(24)25/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,24,25).
What are the key properties of 3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid?
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 120689451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).