1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid

C14H17NO4 — CID 65056433

IUPAC1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOC(=O)c1ccc(CN2CCCC2C(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-19-14(18)11-6-4-10(5-7-11)9-15-8-2-3-12(15)13(16)17/h4-7,12H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyNCRRSXIQLMQSHI-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.52
Rot. Bonds4

About 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid

1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 65056433) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID65056433
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOC(=O)c1ccc(CN2CCCC2C(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-19-14(18)11-6-4-10(5-7-11)9-15-8-2-3-12(15)13(16)17/h4-7,12H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyNCRRSXIQLMQSHI-UHFFFAOYSA-N
XLogP1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid 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 4-[(2-methylpyrrolidin-1-yl)methyl]benzoate
CID 54882617
1-[(4-propoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid
CID 82183381
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzoate
CID 62274393
methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027103
methyl 4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]benzoate
CID 86953310
methyl 4-(1,3-dibenzyl-1,3-diazinan-2-yl)benzoate
CID 992690
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
methyl 4-[[2-(1-hydroxypropyl)piperidin-1-yl]methyl]benzoate
CID 111332221
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
1-[(4-cyano-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 106792477

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid (CID 65056433) is 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid is COC(=O)c1ccc(CN2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NCRRSXIQLMQSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-14(18)11-6-4-10(5-7-11)9-15-8-2-3-12(15)13(16)17/h4-7,12H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid?
1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65056433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).