1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H16N2O3 — CID 61186495

IUPAC1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C(=O)N1CCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-14(10-6-3-2-4-7-10)13(18)15-9-5-8-11(15)12(16)17/h2-4,6-7,11H,5,8-9H2,1H3,(H,16,17)
InChIKeyYKFZWELOIAAVEV-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.79
Rot. Bonds2

About 1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61186495) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61186495
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C(=O)N1CCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-14(10-6-3-2-4-7-10)13(18)15-9-5-8-11(15)12(16)17/h2-4,6-7,11H,5,8-9H2,1H3,(H,16,17)
InChIKeyYKFZWELOIAAVEV-UHFFFAOYSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62001735
1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 107737239
1-[methyl-(2-methylphenyl)carbamoyl]azepane-2-carboxylic acid
CID 64562150
(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119370650
(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90268843
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186053
1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171
(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 28510403
(2S)-1-[methyl-(3,4,5-trimethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 70212018
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61186495) is 1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid is CN(C(=O)N1CCCC1C(=O)O)c1ccccc1.
What is the InChIKey of 1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YKFZWELOIAAVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14(10-6-3-2-4-7-10)13(18)15-9-5-8-11(15)12(16)17/h2-4,6-7,11H,5,8-9H2,1H3,(H,16,17).
What are the key properties of 1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61186495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).