2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid

C16H20BrNO3 — CID 65218799

IUPAC2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C1(c2ccc(Br)cc2)CC1)C(=O)O
InChIInChI=1S/C16H20BrNO3/c1-2-3-11(14(19)20)10-18-15(21)16(8-9-16)12-4-6-13(17)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyWFLBEROESOJYCH-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.10
Rot. Bonds7

About 2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid

2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid (PubChem CID 65218799) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid
PubChem CID65218799
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C1(c2ccc(Br)cc2)CC1)C(=O)O
InChIInChI=1S/C16H20BrNO3/c1-2-3-11(14(19)20)10-18-15(21)16(8-9-16)12-4-6-13(17)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyWFLBEROESOJYCH-UHFFFAOYSA-N
XLogP3.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid
CID 65219700
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
1-(4-bromophenyl)-N-prop-2-ynylcyclopropane-1-carboxamide
CID 36526398
2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 65219579
N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide
CID 106116034
4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821654
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
(2R)-2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 104906047
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467746

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid (CID 65218799) is 2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)C1(c2ccc(Br)cc2)CC1)C(=O)O.
What is the InChIKey of 2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid?
The InChIKey is WFLBEROESOJYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-2-3-11(14(19)20)10-18-15(21)16(8-9-16)12-4-6-13(17)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid?
2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid has a molecular weight of 354.24 g/mol, XLogP of 3.10, 7 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]methyl]pentanoic acid is sourced from PubChem (CID 65218799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).