5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid

C15H23N3O3 — CID 103500492

IUPAC5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NC(=O)N2CCC(C(C)C)CC2)c(C(=O)O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-9(2)11-4-6-18(7-5-11)15(21)17-12-8-10(3)16-13(12)14(19)20/h8-9,11,16H,4-7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOGLGDNCYBCQTHM-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.92
Rot. Bonds3

About 5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid

5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid (PubChem CID 103500492) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid
PubChem CID103500492
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NC(=O)N2CCC(C(C)C)CC2)c(C(=O)O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-9(2)11-4-6-18(7-5-11)15(21)17-12-8-10(3)16-13(12)14(19)20/h8-9,11,16H,4-7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOGLGDNCYBCQTHM-UHFFFAOYSA-N
XLogP2.92
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid (CID 103500492) is 5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid is Cc1cc(NC(=O)N2CCC(C(C)C)CC2)c(C(=O)O)[nH]1.
What is the InChIKey of 5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid?
The InChIKey is OGLGDNCYBCQTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)11-4-6-18(7-5-11)15(21)17-12-8-10(3)16-13(12)14(19)20/h8-9,11,16H,4-7H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid?
5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 103500492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).