1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid

C14H18N2O4 — CID 62001735

IUPAC1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(N(C)C(=O)N2CCCC2C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-15(10-5-3-6-11(9-10)20-2)14(19)16-8-4-7-12(16)13(17)18/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyIHNHPXPRFXIMNY-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.80
Rot. Bonds3

About 1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid

1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 62001735) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID62001735
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(N(C)C(=O)N2CCCC2C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-15(10-5-3-6-11(9-10)20-2)14(19)16-8-4-7-12(16)13(17)18/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyIHNHPXPRFXIMNY-UHFFFAOYSA-N
XLogP1.80
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 107737239
(2S)-1-[methyl-(3,4,5-trimethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 70212018
(2S)-1-[2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366290
(2R)-1-[(2R)-2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 124591782
(2S)-1-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 66924554
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
(2R)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688281
(2R)-1-[3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 78922252
1-[2-(3-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 119357019
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
(2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 119371716

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 62001735) is 1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid is COc1cccc(N(C)C(=O)N2CCCC2C(=O)O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IHNHPXPRFXIMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15(10-5-3-6-11(9-10)20-2)14(19)16-8-4-7-12(16)13(17)18/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62001735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).