2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid

C15H20ClNO2 — CID 106987780

IUPAC2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid
SMILESNc1c(Cl)cccc1C(CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H20ClNO2/c16-13-8-4-7-11(14(13)17)12(15(18)19)9-10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6,9,17H2,(H,18,19)
InChIKeyMOUXTNUHZPTWFQ-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.06
Rot. Bonds4

About 2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid

2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid (PubChem CID 106987780) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid.

Molecular Properties

Compound Name2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid
PubChem CID106987780
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid
SMILESNc1c(Cl)cccc1C(CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H20ClNO2/c16-13-8-4-7-11(14(13)17)12(15(18)19)9-10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6,9,17H2,(H,18,19)
InChIKeyMOUXTNUHZPTWFQ-UHFFFAOYSA-N
XLogP4.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.06
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

methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate
CID 106987579
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
2-(2-amino-3-chlorophenyl)-5,5-dimethylhexanoic acid
CID 106987495
2-(2-amino-5-tert-butylphenyl)-3-cyclopentylpropanoic acid
CID 106988076
2-(2-amino-3-chlorophenyl)-3-ethylpentanoic acid
CID 106987514
3-cyclopropyl-2-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 118142716
cyclohexylmethyl 2-amino-3-chlorobenzoate
CID 113333488
2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid
CID 106987408
3-cyclopropyl-2-(2-methylphenyl)propanoic acid
CID 79441994
(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
CID 130609315
ethyl 2-(2-amino-3-chlorophenyl)butanoate
CID 106988100
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
CID 115540134

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid?
The IUPAC name of 2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid (CID 106987780) is 2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid.
What is the SMILES notation for 2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid?
The canonical SMILES for 2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid is Nc1c(Cl)cccc1C(CC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid?
The InChIKey is MOUXTNUHZPTWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-8-4-7-11(14(13)17)12(15(18)19)9-10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6,9,17H2,(H,18,19).
What are the key properties of 2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid?
2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid has a molecular weight of 281.78 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid is sourced from PubChem (CID 106987780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).