2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid

C14H17BrClNO2 — CID 82773455

IUPAC2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid
SMILESCC(NC1CCCC1)(C(=O)O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClNO2/c1-14(13(18)19,17-10-4-2-3-5-10)11-7-6-9(15)8-12(11)16/h6-8,10,17H,2-5H2,1H3,(H,18,19)
InChIKeyZLFJIVLJWLHLEW-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid

2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid (PubChem CID 82773455) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid
PubChem CID82773455
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid
SMILESCC(NC1CCCC1)(C(=O)O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClNO2/c1-14(13(18)19,17-10-4-2-3-5-10)11-7-6-9(15)8-12(11)16/h6-8,10,17H,2-5H2,1H3,(H,18,19)
InChIKeyZLFJIVLJWLHLEW-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid
CID 61002117
2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 60997722
2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid
CID 83745261
1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol
CID 82778951
2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 61002717
2-(3-bromophenyl)-2-(cyclopentylamino)propanamide
CID 54893904
1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
CID 82779522
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
CID 107707552
2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol
CID 114191784
methyl 2-(4-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60998554
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458
methyl 2-(3-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60997710

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid (CID 82773455) is 2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid is CC(NC1CCCC1)(C(=O)O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid?
The InChIKey is ZLFJIVLJWLHLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c1-14(13(18)19,17-10-4-2-3-5-10)11-7-6-9(15)8-12(11)16/h6-8,10,17H,2-5H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid?
2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid has a molecular weight of 346.65 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid is sourced from PubChem (CID 82773455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).