1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

C15H21N3O3 — CID 107586030

IUPAC1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)Nc1cncc(C)c1
InChIInChI=1S/C15H21N3O3/c1-3-5-15(13(19)20)6-4-7-18(15)14(21)17-12-8-11(2)9-16-10-12/h8-10H,3-7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySBUBSHVAOAFJNA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.64
Rot. Bonds4

About 1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 107586030) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID107586030
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)Nc1cncc(C)c1
InChIInChI=1S/C15H21N3O3/c1-3-5-15(13(19)20)6-4-7-18(15)14(21)17-12-8-11(2)9-16-10-12/h8-10H,3-7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySBUBSHVAOAFJNA-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978315
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 107642686
1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978368
1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977113
1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107971738
1-(2-bromo-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977105
1-(2-imidazol-1-ylethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978311
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-[(3,4-difluorophenyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83060415
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-[(4-methyloxan-4-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978587
1-(3-chloro-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977097

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 107586030) is 1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)Nc1cncc(C)c1.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is SBUBSHVAOAFJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-5-15(13(19)20)6-4-7-18(15)14(21)17-12-8-11(2)9-16-10-12/h8-10H,3-7H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107586030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).