1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid

C12H21NO2 — CID 82237604

IUPAC1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC2CCC2)(C(=O)O)CC1
InChIInChI=1S/C12H21NO2/c1-9-5-7-12(8-6-9,11(14)15)13-10-3-2-4-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyKWYSUDJMTJJTNM-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.16
Rot. Bonds3

About 1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid

1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 82237604) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
PubChem CID82237604
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC2CCC2)(C(=O)O)CC1
InChIInChI=1S/C12H21NO2/c1-9-5-7-12(8-6-9,11(14)15)13-10-3-2-4-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyKWYSUDJMTJJTNM-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Methylamino)cyclohexanecarboxylic acid
CID 228213
(4-Methylcyclohexane-1-carbonyl)-L-leucine
CID 7023893
1-Acetamido-4-methylcyclohexane-1-carboxylic acid
CID 43163090
4-Cyclopentyl-2-(heptylamino)butanoic acid
CID 156013014
(2R)-3-cyclobutyl-2-acetamidopropanoic acid
CID 86812214
rac-(2R,5R)-5-(2-methylpropyl)piperidine-2-carboxylic acid
CID 145912997
(S)-3-Cyclohexyl-2-(methylamino)propanoic acid
CID 41097900
LY 221501
CID 132726
N-[(4-methylcyclohexyl)carbonyl]leucine
CID 4334435
2-Acetamido-2-cyclohexylacetic acid
CID 9794212
3-Cyclohexyl-2-acetamidopropanoic acid
CID 10965857
(2S)-3-cyclohexyl-2-acetamidopropanoic acid
CID 54153509

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid (CID 82237604) is 1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid is CC1CCC(NC2CCC2)(C(=O)O)CC1.
What is the InChIKey of 1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is KWYSUDJMTJJTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-5-7-12(8-6-9,11(14)15)13-10-3-2-4-10/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid?
1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 82237604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).