3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid

C19H20N2O4 — CID 129307503

IUPAC3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid
SMILESCN(C(=O)Oc1ccccc1)c1ccc(C2CCN(C(=O)O)C2)cc1
InChIInChI=1S/C19H20N2O4/c1-20(19(24)25-17-5-3-2-4-6-17)16-9-7-14(8-10-16)15-11-12-21(13-15)18(22)23/h2-10,15H,11-13H2,1H3,(H,22,23)
InChIKeyFVIXVNSHVAXLIM-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.79
Rot. Bonds3

About 3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid

3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid (PubChem CID 129307503) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid
PubChem CID129307503
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid
SMILESCN(C(=O)Oc1ccccc1)c1ccc(C2CCN(C(=O)O)C2)cc1
InChIInChI=1S/C19H20N2O4/c1-20(19(24)25-17-5-3-2-4-6-17)16-9-7-14(8-10-16)15-11-12-21(13-15)18(22)23/h2-10,15H,11-13H2,1H3,(H,22,23)
InChIKeyFVIXVNSHVAXLIM-UHFFFAOYSA-N
XLogP3.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-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

phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate
CID 154880998
tert-butyl (3R)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 175718295
tert-butyl (3S)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 67238679
tert-butyl 3-[4-(dimethylamino)phenyl]pyrrolidine-1-carboxylate
CID 151030118
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859
[4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone
CID 166180817
2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid
CID 114997894
(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
CID 10022032
N-methoxy-N-methyl-4-phenylpiperidine-1-carboxamide
CID 139678223

Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid (CID 129307503) is 3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid is CN(C(=O)Oc1ccccc1)c1ccc(C2CCN(C(=O)O)C2)cc1.
What is the InChIKey of 3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid?
The InChIKey is FVIXVNSHVAXLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-20(19(24)25-17-5-3-2-4-6-17)16-9-7-14(8-10-16)15-11-12-21(13-15)18(22)23/h2-10,15H,11-13H2,1H3,(H,22,23).
What are the key properties of 3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid?
3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 129307503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).