4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 63783349

IUPAC4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CCNC(=O)C1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-16(12-6-7-12)9-8-15-13(17)10-2-4-11(5-3-10)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyFDIKJOZABHPUEF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds6

About 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783349) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783349
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CCNC(=O)C1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-16(12-6-7-12)9-8-15-13(17)10-2-4-11(5-3-10)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyFDIKJOZABHPUEF-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
CID 79526757
4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784312
4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 115149052
cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092285
4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 117029342
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
CID 64824842
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 47939267
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide
CID 110445585
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
4-(2-tert-butylsulfanylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674071

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63783349) is 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid is CN(CCNC(=O)C1CCC(C(=O)O)CC1)C1CC1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FDIKJOZABHPUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16(12-6-7-12)9-8-15-13(17)10-2-4-11(5-3-10)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).