1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid

C13H24N2O3 — CID 76894061

IUPAC1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C(N)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)9(14)10(16)15-13(11(17)18)7-5-4-6-8-13/h9H,4-8,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyZGBULFYKEUCYSY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.26
Rot. Bonds3

About 1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid

1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 76894061) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID76894061
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C(N)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)9(14)10(16)15-13(11(17)18)7-5-4-6-8-13/h9H,4-8,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyZGBULFYKEUCYSY-UHFFFAOYSA-N
XLogP1.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 76897664
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 64676761
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 43358914
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
1-[(2-amino-4-carboxybutanoyl)amino]cycloheptane-1-carboxylic acid
CID 64890106
1-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]cycloheptane-1-carboxylic acid
CID 104908015
1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 103309120
(2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide
CID 104866235
1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid (CID 76894061) is 1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid is CC(C)(C)C(N)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZGBULFYKEUCYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)9(14)10(16)15-13(11(17)18)7-5-4-6-8-13/h9H,4-8,14H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 76894061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).