methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate

C15H19NO4 — CID 62027103

IUPACmethyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCCC2C(=O)OC)c1
InChIInChI=1S/C15H19NO4/c1-19-14(17)12-6-3-5-11(9-12)10-16-8-4-7-13(16)15(18)20-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3
InChIKeyZOBSNVJBNHKQHJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.61
Rot. Bonds4

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

methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate (PubChem CID 62027103) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate
PubChem CID62027103
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCCC2C(=O)OC)c1
InChIInChI=1S/C15H19NO4/c1-19-14(17)12-6-3-5-11(9-12)10-16-8-4-7-13(16)15(18)20-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3
InChIKeyZOBSNVJBNHKQHJ-UHFFFAOYSA-N
XLogP1.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-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 3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62734235
methyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 63382595
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374
methyl 3-[[2-(1-hydroxypropyl)piperidin-1-yl]methyl]benzoate
CID 111333469
methyl 1-[(3-nitrophenyl)methyl]piperidine-2-carboxylate
CID 115279194
methyl (2R)-1-[(3-nitrophenyl)methyl]piperidine-2-carboxylate
CID 79833827
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427
ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
CID 115280703
methyl 1-[(2-amino-4-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62471193

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate (CID 62027103) is methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate is COC(=O)c1cccc(CN2CCCC2C(=O)OC)c1.
What is the InChIKey of methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is ZOBSNVJBNHKQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-14(17)12-6-3-5-11(9-12)10-16-8-4-7-13(16)15(18)20-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3.
What are the key properties of methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate?
methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62027103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).