2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C14H17BrN2O3 — CID 82762508

IUPAC2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O3/c1-14(12(18)19)7-3-6-11(14)17-13(20)16-10-5-2-4-9(15)8-10/h2,4-5,8,11H,3,6-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyNERNCIMVUCHJJX-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.21
Rot. Bonds3

About 2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82762508) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82762508
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O3/c1-14(12(18)19)7-3-6-11(14)17-13(20)16-10-5-2-4-9(15)8-10/h2,4-5,8,11H,3,6-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyNERNCIMVUCHJJX-UHFFFAOYSA-N
XLogP3.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82765860
1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762881
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764542
1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263
2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107368667
2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760341
2-[(2-fluoro-4-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764317
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82765529
2-[(5-bromothiophene-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760095
2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763308

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 82762508) is 2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is NERNCIMVUCHJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-14(12(18)19)7-3-6-11(14)17-13(20)16-10-5-2-4-9(15)8-10/h2,4-5,8,11H,3,6-7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 341.21 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).