2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid

C13H24N2O3 — CID 83213560

IUPAC2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC(C)(N)CC(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-12(2,14)8-10(16)15-9-6-4-5-7-13(9,3)11(17)18/h9H,4-8,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyAJUMUGGSQGPNSF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.26
Rot. Bonds4

About 2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid

2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83213560) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID83213560
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC(C)(N)CC(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-12(2,14)8-10(16)15-9-6-4-5-7-13(9,3)11(17)18/h9H,4-8,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyAJUMUGGSQGPNSF-UHFFFAOYSA-N
XLogP1.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213858
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 103930463
2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 114212381
2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214456
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid
CID 83214006
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107175872
2-[[2-(cyanomethylsulfanyl)acetyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214663

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid (CID 83213560) is 2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid is CC(C)(N)CC(=O)NC1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is AJUMUGGSQGPNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,14)8-10(16)15-9-6-4-5-7-13(9,3)11(17)18/h9H,4-8,14H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83213560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).