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

C14H19N3O3 — CID 61195359

IUPAC1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(CCc1ccccn1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-16(10-7-11-5-2-3-8-15-11)14(20)17-9-4-6-12(17)13(18)19/h2-3,5,8,12H,4,6-7,9-10H2,1H3,(H,18,19)
InChIKeyINVFCVLIBOKSHP-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.22
Rot. Bonds4

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

1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61195359) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61195359
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(CCc1ccccn1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-16(10-7-11-5-2-3-8-15-11)14(20)17-9-4-6-12(17)13(18)19/h2-3,5,8,12H,4,6-7,9-10H2,1H3,(H,18,19)
InChIKeyINVFCVLIBOKSHP-UHFFFAOYSA-N
XLogP1.22
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781714
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
[methyl(2-pyridin-2-ylethyl)carbamoyl]oxymethyl (2S)-1-(2-acetyloxyacetyl)pyrrolidine-2-carboxylate
CID 178172602
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
(2R)-1-[methyl(pyridin-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922741
(2S)-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63027065
3-methyl-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781852

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61195359) is 1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is CN(CCc1ccccn1)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is INVFCVLIBOKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(10-7-11-5-2-3-8-15-11)14(20)17-9-4-6-12(17)13(18)19/h2-3,5,8,12H,4,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of 1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61195359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).