1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H22N2O3 — CID 82760756

IUPAC1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)n1cccc1C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10(2)17-9-5-6-11(17)13(18)16-12-7-4-8-15(12,3)14(19)20/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyVXPKXRJDIHBZNK-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.44
Rot. Bonds4

About 1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 82760756) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID82760756
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)n1cccc1C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10(2)17-9-5-6-11(17)13(18)16-12-7-4-8-15(12,3)14(19)20/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyVXPKXRJDIHBZNK-UHFFFAOYSA-N
XLogP2.44
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 82760756) is 1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is CC(C)n1cccc1C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VXPKXRJDIHBZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)17-9-5-6-11(17)13(18)16-12-7-4-8-15(12,3)14(19)20/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).