2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid

C15H19BrN2O3 — CID 61414112

IUPAC2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C(=O)NCc1ccccc1Br)C1CCCC1
InChIInChI=1S/C15H19BrN2O3/c16-13-8-4-1-5-11(13)9-17-15(21)18(10-14(19)20)12-6-2-3-7-12/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,17,21)(H,19,20)
InChIKeyYADNBIRTKUYCAA-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.99
Rot. Bonds5

About 2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid

2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid (PubChem CID 61414112) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid
PubChem CID61414112
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C(=O)NCc1ccccc1Br)C1CCCC1
InChIInChI=1S/C15H19BrN2O3/c16-13-8-4-1-5-11(13)9-17-15(21)18(10-14(19)20)12-6-2-3-7-12/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,17,21)(H,19,20)
InChIKeyYADNBIRTKUYCAA-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methylcarbamoyl-methylamino]acetic acid
CID 61414155
2-[(2-bromophenyl)methylcarbamoyl-(carboxymethyl)amino]acetic acid
CID 63644952
2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid
CID 61190150
3-[[(2-bromophenyl)methyl-cyclopentylcarbamoyl]amino]propanoic acid
CID 122018494
2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid
CID 79257084
2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
CID 119194508
2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
1-[(2-bromophenyl)methyl]-3-cyclobutylurea
CID 115618018
3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid
CID 119994881
2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid
CID 106421064
1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
CID 108902673
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052971

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid (CID 61414112) is 2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid is O=C(O)CN(C(=O)NCc1ccccc1Br)C1CCCC1.
What is the InChIKey of 2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid?
The InChIKey is YADNBIRTKUYCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c16-13-8-4-1-5-11(13)9-17-15(21)18(10-14(19)20)12-6-2-3-7-12/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,17,21)(H,19,20).
What are the key properties of 2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid?
2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid has a molecular weight of 355.23 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 61414112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).