(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C14H18N2O4 — CID 78923027

IUPAC(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1CNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-12-7-3-2-5-10(12)9-15-14(19)16-8-4-6-11(16)13(17)18/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyHENBMTKSFQUQLR-LLVKDONJSA-N
MW278.31 g/mol
LogP1.45
Rot. Bonds4

About (2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78923027) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78923027
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1CNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-12-7-3-2-5-10(12)9-15-14(19)16-8-4-6-11(16)13(17)18/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyHENBMTKSFQUQLR-LLVKDONJSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(2-methoxyphenyl)methylcarbamoyl]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

1-[(2-ethylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64695971
(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 119072836
(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509931
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 51108813
3-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791709
(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79756204
1-[2-(2-methoxyanilino)acetyl]pyrrolidine-2-carboxylic acid
CID 119356018

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 78923027) is (2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is COc1ccccc1CNC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HENBMTKSFQUQLR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-12-7-3-2-5-10(12)9-15-14(19)16-8-4-6-11(16)13(17)18/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,15,19)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78923027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).