2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid

C15H21N3O3 — CID 61371561

IUPAC2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCN(CCc1ccncc1)C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C15H21N3O3/c1-17(10-6-12-4-7-16-8-5-12)15(21)18-9-2-3-13(18)11-14(19)20/h4-5,7-8,13H,2-3,6,9-11H2,1H3,(H,19,20)
InChIKeyCXUBEWXDPKDUAA-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.62
Rot. Bonds5

About 2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61371561) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID61371561
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCN(CCc1ccncc1)C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C15H21N3O3/c1-17(10-6-12-4-7-16-8-5-12)15(21)18-9-2-3-13(18)11-14(19)20/h4-5,7-8,13H,2-3,6,9-11H2,1H3,(H,19,20)
InChIKeyCXUBEWXDPKDUAA-UHFFFAOYSA-N
XLogP1.62
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-bromophenyl)methyl-methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61415894
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid
CID 61372298
2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108985566
2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
CID 54899853
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61371555
2-[1-[methyl(3-methylsulfanylpropyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114237788
2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61196830
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
(2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79000392
2-[1-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55012085
2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55257886

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid (CID 61371561) is 2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid is CN(CCc1ccncc1)C(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is CXUBEWXDPKDUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(10-6-12-4-7-16-8-5-12)15(21)18-9-2-3-13(18)11-14(19)20/h4-5,7-8,13H,2-3,6,9-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).