2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid

C15H19Cl2NO2 — CID 106987408

IUPAC2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid
SMILESNc1c(Cl)cc(Cl)cc1C(CCC1CCCC1)C(=O)O
InChIInChI=1S/C15H19Cl2NO2/c16-10-7-12(14(18)13(17)8-10)11(15(19)20)6-5-9-3-1-2-4-9/h7-9,11H,1-6,18H2,(H,19,20)
InChIKeyKEYIEQSSFPJOER-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.71
Rot. Bonds5

About 2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid

2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid (PubChem CID 106987408) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid.

Molecular Properties

Compound Name2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid
PubChem CID106987408
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid
SMILESNc1c(Cl)cc(Cl)cc1C(CCC1CCCC1)C(=O)O
InChIInChI=1S/C15H19Cl2NO2/c16-10-7-12(14(18)13(17)8-10)11(15(19)20)6-5-9-3-1-2-4-9/h7-9,11H,1-6,18H2,(H,19,20)
InChIKeyKEYIEQSSFPJOER-UHFFFAOYSA-N
XLogP4.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid
CID 106987412
2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid
CID 106987780
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
2-(2-amino-5-tert-butylphenyl)-3-cyclopentylpropanoic acid
CID 106988076
2-(2-amino-3-chlorophenyl)-5,5-dimethylhexanoic acid
CID 106987495
(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid
CID 157381240
(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol
CID 130692934
1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine
CID 114192287
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 7864798
ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate
CID 106987677
cyclohexylmethyl 4-amino-3,5-dichlorobenzoate
CID 82831029

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid?
The IUPAC name of 2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid (CID 106987408) is 2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid.
What is the SMILES notation for 2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid?
The canonical SMILES for 2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid is Nc1c(Cl)cc(Cl)cc1C(CCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid?
The InChIKey is KEYIEQSSFPJOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-10-7-12(14(18)13(17)8-10)11(15(19)20)6-5-9-3-1-2-4-9/h7-9,11H,1-6,18H2,(H,19,20).
What are the key properties of 2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid?
2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid has a molecular weight of 316.23 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid is sourced from PubChem (CID 106987408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).