1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C15H19N3O3 — CID 122094283

IUPAC1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2cccc(C3CC3)n2)C1
InChIInChI=1S/C15H19N3O3/c1-15(13(19)20)7-8-18(9-15)14(21)17-12-4-2-3-11(16-12)10-5-6-10/h2-4,10H,5-9H2,1H3,(H,19,20)(H,16,17,21)
InChIKeyUXIGTFXYDLHFON-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.29
Rot. Bonds3

About 1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122094283) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122094283
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2cccc(C3CC3)n2)C1
InChIInChI=1S/C15H19N3O3/c1-15(13(19)20)7-8-18(9-15)14(21)17-12-4-2-3-11(16-12)10-5-6-10/h2-4,10H,5-9H2,1H3,(H,19,20)(H,16,17,21)
InChIKeyUXIGTFXYDLHFON-UHFFFAOYSA-N
XLogP2.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122095095
3-methyl-1-[(2-phenylpyrimidin-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076984
3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091036
3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089359
3-methyl-1-[(4-pyrazol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075319
3-methyl-1-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074906
1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122086081
3-methyl-1-[(2-methylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 107642319
1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090412
3-methyl-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145879
1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145953
3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122094745

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122094283) is 1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2cccc(C3CC3)n2)C1.
What is the InChIKey of 1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UXIGTFXYDLHFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(13(19)20)7-8-18(9-15)14(21)17-12-4-2-3-11(16-12)10-5-6-10/h2-4,10H,5-9H2,1H3,(H,19,20)(H,16,17,21).
What are the key properties of 1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122094283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).