3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid

C16H21BrN2O3 — CID 122003095

IUPAC3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C16H21BrN2O3/c17-13-5-3-12(4-6-13)16(8-1-2-9-16)11-19-15(22)18-10-7-14(20)21/h3-6H,1-2,7-11H2,(H,20,21)(H2,18,19,22)
InChIKeyBUGBLTLDEZLTJK-UHFFFAOYSA-N
MW369.26 g/mol
LogP3.03
Rot. Bonds6

About 3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid

3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid (PubChem CID 122003095) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is 3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid
PubChem CID122003095
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC Name3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C16H21BrN2O3/c17-13-5-3-12(4-6-13)16(8-1-2-9-16)11-19-15(22)18-10-7-14(20)21/h3-6H,1-2,7-11H2,(H,20,21)(H2,18,19,22)
InChIKeyBUGBLTLDEZLTJK-UHFFFAOYSA-N
XLogP3.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic 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

1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(3-hydroxypropyl)urea
CID 110902756
4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122009757
N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119797524
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
1-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 119314904
ethyl 4-[(1-phenylcyclopentyl)methylcarbamoylamino]butanoate
CID 112806288
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791
1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214075
4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120592963

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid (CID 122003095) is 3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid is O=C(O)CCNC(=O)NCC1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of 3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid?
The InChIKey is BUGBLTLDEZLTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c17-13-5-3-12(4-6-13)16(8-1-2-9-16)11-19-15(22)18-10-7-14(20)21/h3-6H,1-2,7-11H2,(H,20,21)(H2,18,19,22).
What are the key properties of 3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid?
3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid has a molecular weight of 369.26 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 122003095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).