(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid

C14H17NO5 — CID 42256587

IUPAC(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(OC)c1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H17NO5/c1-19-10-6-3-7-11(20-2)12(10)13(16)15-8-4-5-9(15)14(17)18/h3,6-7,9H,4-5,8H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyZGDCQUDMJTXZHO-VIFPVBQESA-N
MW279.29 g/mol
LogP1.39
Rot. Bonds4

About (2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 42256587) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID42256587
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(OC)c1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H17NO5/c1-19-10-6-3-7-11(20-2)12(10)13(16)15-8-4-5-9(15)14(17)18/h3,6-7,9H,4-5,8H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyZGDCQUDMJTXZHO-VIFPVBQESA-N
XLogP1.39
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(2,6-dimethoxybenzoyl)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-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
CID 65432630
1-(2-fluoro-6-methoxybenzoyl)azepane-2-carboxylic acid
CID 65433605
1-(2,3-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24699096
(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 142809150
1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
CID 24689574
2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371256
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618
(2S)-1-(2-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 110834780
(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 81283582
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
1-[2-(2-methoxyanilino)acetyl]pyrrolidine-2-carboxylic acid
CID 119356018

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid (CID 42256587) is (2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid is COc1cccc(OC)c1C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZGDCQUDMJTXZHO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-10-6-3-7-11(20-2)12(10)13(16)15-8-4-5-9(15)14(17)18/h3,6-7,9H,4-5,8H2,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 42256587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).