2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid

C15H19BrN2O3 — CID 63334919

IUPAC2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid
SMILESCc1ccc(NC(=O)N(CC(=O)O)C2CCCC2)cc1Br
InChIInChI=1S/C15H19BrN2O3/c1-10-6-7-11(8-13(10)16)17-15(21)18(9-14(19)20)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyQNRGORYFXZUUMZ-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.62
Rot. Bonds4

About 2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid

2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid (PubChem CID 63334919) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid
PubChem CID63334919
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid
SMILESCc1ccc(NC(=O)N(CC(=O)O)C2CCCC2)cc1Br
InChIInChI=1S/C15H19BrN2O3/c1-10-6-7-11(8-13(10)16)17-15(21)18(9-14(19)20)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyQNRGORYFXZUUMZ-UHFFFAOYSA-N
XLogP3.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid
CID 61190150
2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978714
2-[cyclopropyl(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]acetic acid
CID 61185132
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
2-[(4-bromo-3-methylphenyl)carbamoyl-methylamino]acetic acid
CID 43135768
2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid
CID 61341696
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 113159571
2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 61185121
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
2-[cyclopropyl-[(2,4-dibromophenyl)carbamoyl]amino]acetic acid
CID 54983981
3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
CID 61191910

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid (CID 63334919) is 2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid is Cc1ccc(NC(=O)N(CC(=O)O)C2CCCC2)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid?
The InChIKey is QNRGORYFXZUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-6-7-11(8-13(10)16)17-15(21)18(9-14(19)20)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid?
2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid has a molecular weight of 355.23 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 63334919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).