1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C14H18N2O5 — CID 63032599

IUPAC1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1cc(NC(=O)N2CCC(C(=O)O)C2)cc(OC)c1
InChIInChI=1S/C14H18N2O5/c1-20-11-5-10(6-12(7-11)21-2)15-14(19)16-4-3-9(8-16)13(17)18/h5-7,9H,3-4,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyKXGZGKJVFFUTDR-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.64
Rot. Bonds4

About 1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032599) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63032599
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1cc(NC(=O)N2CCC(C(=O)O)C2)cc(OC)c1
InChIInChI=1S/C14H18N2O5/c1-20-11-5-10(6-12(7-11)21-2)15-14(19)16-4-3-9(8-16)13(17)18/h5-7,9H,3-4,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyKXGZGKJVFFUTDR-UHFFFAOYSA-N
XLogP1.64
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-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-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82860741
1-[(3-bromo-5-methoxyphenyl)carbamoyl]azetidine-3-carboxylic acid
CID 82859262
1-[(3,5-dimethoxy-4-propan-2-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089140
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031412
1-[[3,4-bis(methoxycarbonyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085939
1-[(3-iodo-5-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122093344
1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122073677
N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 4994104
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
1-[[3-(2-methylpropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076727
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63032599) is 1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is COc1cc(NC(=O)N2CCC(C(=O)O)C2)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is KXGZGKJVFFUTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-11-5-10(6-12(7-11)21-2)15-14(19)16-4-3-9(8-16)13(17)18/h5-7,9H,3-4,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).