2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid

C15H18BrNO3 — CID 82760341

IUPAC2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO3/c1-15(14(19)20)8-2-3-12(15)17-13(18)9-10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyHJZYAUMHCKQXJV-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.75
Rot. Bonds4

About 2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid

2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82760341) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82760341
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO3/c1-15(14(19)20)8-2-3-12(15)17-13(18)9-10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyHJZYAUMHCKQXJV-UHFFFAOYSA-N
XLogP2.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765679
1-methyl-2-[(2-thiophen-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 82759950
1-methyl-2-(3-phenylpropanoylamino)cyclohexane-1-carboxylic acid
CID 83209928
2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762508
2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763308
2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760507
1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 82765677
2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 114212381
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759781
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760105

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82760341) is 2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is HJZYAUMHCKQXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-15(14(19)20)8-2-3-12(15)17-13(18)9-10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 340.22 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).