methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate

C15H18ClNO3 — CID 112733766

IUPACmethyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCc2ccccc2Cl)C1
InChIInChI=1S/C15H18ClNO3/c1-20-15(19)12-8-9-17(10-12)14(18)7-6-11-4-2-3-5-13(11)16/h2-5,12H,6-10H2,1H3
InChIKeyKPKSBKPGQSEMIF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.29
Rot. Bonds4

About methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate

methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate (PubChem CID 112733766) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
PubChem CID112733766
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namemethyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCc2ccccc2Cl)C1
InChIInChI=1S/C15H18ClNO3/c1-20-15(19)12-8-9-17(10-12)14(18)7-6-11-4-2-3-5-13(11)16/h2-5,12H,6-10H2,1H3
InChIKeyKPKSBKPGQSEMIF-UHFFFAOYSA-N
XLogP2.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate 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

methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
CID 43409066
methyl 1-[2-(2,6-dichlorophenyl)acetyl]pyrrolidine-3-carboxylate
CID 112733652
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate
CID 113226248
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
2-[2-(3-methoxycarbonylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 104601679
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93032761
1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 34081968
methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate
CID 78919018

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate (CID 112733766) is methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)CCc2ccccc2Cl)C1.
What is the InChIKey of methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate?
The InChIKey is KPKSBKPGQSEMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-20-15(19)12-8-9-17(10-12)14(18)7-6-11-4-2-3-5-13(11)16/h2-5,12H,6-10H2,1H3.
What are the key properties of methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate?
methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate has a molecular weight of 295.77 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 112733766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).