4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H22N2O3 — CID 60808069

IUPAC4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCn1cccc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-2-9-17-10-3-4-13(17)14(18)16-12-7-5-11(6-8-12)15(19)20/h3-4,10-12H,2,5-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyCUOMTINUKOEGRK-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.27
Rot. Bonds5

About 4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60808069) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60808069
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCn1cccc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-2-9-17-10-3-4-13(17)14(18)16-12-7-5-11(6-8-12)15(19)20/h3-4,10-12H,2,5-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyCUOMTINUKOEGRK-UHFFFAOYSA-N
XLogP2.27
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321385
N-[(3R)-piperidin-3-yl]-1-propylpyrrole-2-carboxamide
CID 113436690
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide
CID 43639095
N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610479
2-[2-[(1-methylpiperidin-4-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324781
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 66120116
(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 81120632
(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524563
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43639021
N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
CID 79394241

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60808069) is 4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CCCn1cccc1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CUOMTINUKOEGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-9-17-10-3-4-13(17)14(18)16-12-7-5-11(6-8-12)15(19)20/h3-4,10-12H,2,5-9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).