1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid

C13H21NO3 — CID 106703045

IUPAC1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H21NO3/c1-12(2)8-9(12)10(15)14-13(11(16)17)6-4-3-5-7-13/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVVTQCOVKBPUGJQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.94
Rot. Bonds3

About 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid

1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 106703045) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID106703045
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H21NO3/c1-12(2)8-9(12)10(15)14-13(11(16)17)6-4-3-5-7-13/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVVTQCOVKBPUGJQ-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 120666263
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106703092
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid
CID 106703650
1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003388
N-[1-(hydroxymethyl)cyclobutyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 103881165
1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 81356177
1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79750991
1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539156
1-(thiane-4-carbonylamino)cycloheptane-1-carboxylic acid
CID 120538857
cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 167780064
1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 54938838

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid (CID 106703045) is 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid is CC1(C)CC1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VVTQCOVKBPUGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-12(2)8-9(12)10(15)14-13(11(16)17)6-4-3-5-7-13/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106703045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).