methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate

C15H20ClNO2 — CID 106987579

IUPACmethyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate
SMILESCOC(=O)C(CC1CCCC1)c1cccc(Cl)c1N
InChIInChI=1S/C15H20ClNO2/c1-19-15(18)12(9-10-5-2-3-6-10)11-7-4-8-13(16)14(11)17/h4,7-8,10,12H,2-3,5-6,9,17H2,1H3
InChIKeyMEEVCWXOFGXCFL-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.76
Rot. Bonds4

About methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate

methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate (PubChem CID 106987579) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate
PubChem CID106987579
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Namemethyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate
SMILESCOC(=O)C(CC1CCCC1)c1cccc(Cl)c1N
InChIInChI=1S/C15H20ClNO2/c1-19-15(18)12(9-10-5-2-3-6-10)11-7-4-8-13(16)14(11)17/h4,7-8,10,12H,2-3,5-6,9,17H2,1H3
InChIKeyMEEVCWXOFGXCFL-UHFFFAOYSA-N
XLogP3.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid
CID 106987780
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate
CID 90182347
ethyl 2-(2-amino-3-chlorophenyl)butanoate
CID 106988100
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
methyl 3-cyclopentyl-2-[2-sulfanyl-4-(trifluoromethyl)phenyl]propanoate
CID 174374228
cyclohexylmethyl 2-amino-3-chlorobenzoate
CID 113333488
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132
methyl 2-(2-chlorophenyl)-3-methoxypropanoate
CID 117244467
3-chloro-1-N-(cyclohexylmethyl)benzene-1,2-diamine
CID 104834104
methyl 2-(3-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetate
CID 114488196

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate?
The IUPAC name of methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate (CID 106987579) is methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate.
What is the SMILES notation for methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate?
The canonical SMILES for methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate is COC(=O)C(CC1CCCC1)c1cccc(Cl)c1N.
What is the InChIKey of methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate?
The InChIKey is MEEVCWXOFGXCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-19-15(18)12(9-10-5-2-3-6-10)11-7-4-8-13(16)14(11)17/h4,7-8,10,12H,2-3,5-6,9,17H2,1H3.
What are the key properties of methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate?
methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate has a molecular weight of 281.78 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate is sourced from PubChem (CID 106987579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).