2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid

C12H24N2O2 — CID 114988647

IUPAC2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC1CCCCC1N)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-8-12(2,11(15)16)14-10-7-5-4-6-9(10)13/h9-10,14H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyFEWXQRNRIGOQAW-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.49
Rot. Bonds5

About 2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid

2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid (PubChem CID 114988647) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid
PubChem CID114988647
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC1CCCCC1N)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-8-12(2,11(15)16)14-10-7-5-4-6-9(10)13/h9-10,14H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyFEWXQRNRIGOQAW-UHFFFAOYSA-N
XLogP1.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid
CID 61339773
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid
CID 105366139
2-methyl-2-(oxolan-3-ylamino)pentanoic acid
CID 63557368
2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid
CID 64728456
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113471946
4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 61403433
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
N-(2-aminocycloheptyl)-2,2-dimethylbutanamide
CID 63258190
N-(2-aminocyclohexyl)propanamide
CID 61036997
2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 66010443

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid (CID 114988647) is 2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid is CCCC(C)(NC1CCCCC1N)C(=O)O.
What is the InChIKey of 2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid?
The InChIKey is FEWXQRNRIGOQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-8-12(2,11(15)16)14-10-7-5-4-6-9(10)13/h9-10,14H,3-8,13H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid?
2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 114988647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).