methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate

C13H16ClNO2 — CID 42576017

IUPACmethyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-17-13(16)9-15-8-2-3-12(15)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m1/s1
InChIKeyHUASDZHTZUTIIK-GFCCVEGCSA-N
MW253.73 g/mol
LogP2.65
Rot. Bonds3

About methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate

methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate (PubChem CID 42576017) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate
PubChem CID42576017
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Namemethyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-17-13(16)9-15-8-2-3-12(15)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m1/s1
InChIKeyHUASDZHTZUTIIK-GFCCVEGCSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-chlorophenyl)azepan-1-yl]acetic acid
CID 119135905
2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42950760
methyl 2-[[2-(4-chlorophenyl)azepane-1-carbonyl]amino]acetate
CID 50947815
2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine
CID 25248409
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 41077132
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one
CID 95146154
methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate
CID 95315542
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119721619
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
CID 47117656

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate (CID 42576017) is methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate is COC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate?
The InChIKey is HUASDZHTZUTIIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-13(16)9-15-8-2-3-12(15)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m1/s1.
What are the key properties of methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate?
methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate has a molecular weight of 253.73 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 42576017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).