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

C14H18N2O4 — CID 61208248

IUPAC1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(CNC(=O)N2CCCC2C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-20-11-5-2-4-10(8-11)9-15-14(19)16-7-3-6-12(16)13(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyAIQBDJWEKMTMIT-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.45
Rot. Bonds4

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

1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61208248) 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 CID61208248
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(CNC(=O)N2CCCC2C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-20-11-5-2-4-10(8-11)9-15-14(19)16-7-3-6-12(16)13(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyAIQBDJWEKMTMIT-UHFFFAOYSA-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

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Related Compounds

1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61208442
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945
(2S)-1-[(3-bromophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54595787
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
(2R)-1-[(3-bromophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922791
1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61204446
(2R)-1-[(3-nitrophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923149
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219752
(2S)-N-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503231
(2R)-1-[(3,4-difluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922690

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 61208248) 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(CNC(=O)N2CCCC2C(=O)O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AIQBDJWEKMTMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-11-5-2-4-10(8-11)9-15-14(19)16-7-3-6-12(16)13(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,19)(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 1.45, 4 rotatable bonds, 2 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 61208248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).