2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid

C16H20BrNO3 — CID 43467746

IUPAC2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)C1(c2ccc(Br)cc2)CC1)C(=O)O
InChIInChI=1S/C16H20BrNO3/c1-15(2,3)12(13(19)20)18-14(21)16(8-9-16)10-4-6-11(17)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyDKRQDYGDFJUMPN-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.10
Rot. Bonds4

About 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid

2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 43467746) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
PubChem CID43467746
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)C1(c2ccc(Br)cc2)CC1)C(=O)O
InChIInChI=1S/C16H20BrNO3/c1-15(2,3)12(13(19)20)18-14(21)16(8-9-16)10-4-6-11(17)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyDKRQDYGDFJUMPN-UHFFFAOYSA-N
XLogP3.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467516
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173367
(2R)-2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 104906047
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-ethylbutanoic acid
CID 79813326
1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 17486820
1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 47901796
2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid
CID 65218799
1-(4-bromophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
CID 66179470
(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930596
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid (CID 43467746) is 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)C1(c2ccc(Br)cc2)CC1)C(=O)O.
What is the InChIKey of 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is DKRQDYGDFJUMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-15(2,3)12(13(19)20)18-14(21)16(8-9-16)10-4-6-11(17)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 354.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 43467746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).