2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C15H21N3O3 — CID 114701453

IUPAC2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCc1ccncc1C
InChIInChI=1S/C15H21N3O3/c1-3-15(13(19)20)6-4-8-18(15)14(21)17-10-12-5-7-16-9-11(12)2/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQFKKXOJEWJTQMJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.93
Rot. Bonds4

About 2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 114701453) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID114701453
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCc1ccncc1C
InChIInChI=1S/C15H21N3O3/c1-3-15(13(19)20)6-4-8-18(15)14(21)17-10-12-5-7-16-9-11(12)2/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQFKKXOJEWJTQMJ-UHFFFAOYSA-N
XLogP1.93
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83064829
1-[(2-chlorophenyl)methylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83060928
3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114701416
2-ethyl-1-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83061006
2-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83071216
2-ethyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83070554
1-[(3-chlorophenyl)methylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064334
2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071140
1-[(3-methylthiophen-2-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978501
(3aS,6aR)-2-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122010964
2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114617998
2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114698483

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 114701453) is 2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)NCc1ccncc1C.
What is the InChIKey of 2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QFKKXOJEWJTQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-15(13(19)20)6-4-8-18(15)14(21)17-10-12-5-7-16-9-11(12)2/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114701453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).