methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate

C14H18ClNO2 — CID 60727132

IUPACmethyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
SMILESCOC(=O)C(NC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-18-14(17)13(16-10-6-2-3-7-10)11-8-4-5-9-12(11)15/h4-5,8-10,13,16H,2-3,6-7H2,1H3
InChIKeyIRYKWNYKOIPKPB-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.09
Rot. Bonds4

About methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate

methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate (PubChem CID 60727132) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
PubChem CID60727132
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Namemethyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
SMILESCOC(=O)C(NC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-18-14(17)13(16-10-6-2-3-7-10)11-8-4-5-9-12(11)15/h4-5,8-10,13,16H,2-3,6-7H2,1H3
InChIKeyIRYKWNYKOIPKPB-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetate
CID 114488196
methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate
CID 114076211
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate
CID 66157058
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclohexylamino)acetate
CID 66157260
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
2-(2-chloro-6-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 104816493
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
2-chloro-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 62224606
2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid
CID 60998445

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate (CID 60727132) is methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate is COC(=O)C(NC1CCCC1)c1ccccc1Cl.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate?
The InChIKey is IRYKWNYKOIPKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-18-14(17)13(16-10-6-2-3-7-10)11-8-4-5-9-12(11)15/h4-5,8-10,13,16H,2-3,6-7H2,1H3.
What are the key properties of methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate?
methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate has a molecular weight of 267.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate is sourced from PubChem (CID 60727132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).