2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid

C15H26N2O3 — CID 60980682

IUPAC2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CCCNC(=O)C1CC1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-17(11-6-3-2-4-7-11)9-5-8-16-14(18)12-10-13(12)15(19)20/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyBTBNVGYRCXKOFX-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds7

About 2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid

2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60980682) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60980682
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CCCNC(=O)C1CC1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-17(11-6-3-2-4-7-11)9-5-8-16-14(18)12-10-13(12)15(19)20/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyBTBNVGYRCXKOFX-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
CID 103240507
cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092285
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 66009397
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
CID 60981241
1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122172
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-3-carboxamide
CID 60981375
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365859

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid (CID 60980682) is 2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid is CN(CCCNC(=O)C1CC1C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is BTBNVGYRCXKOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-17(11-6-3-2-4-7-11)9-5-8-16-14(18)12-10-13(12)15(19)20/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60980682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).