2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid

C12H22N2O3 — CID 79811925

IUPAC2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)(N)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-12(2,13)11(17)14-9-7-5-4-6-8(9)10(15)16/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLZQXCWSZQWMHJX-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds4

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

2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 79811925) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID79811925
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)(N)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-12(2,13)11(17)14-9-7-5-4-6-8(9)10(15)16/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLZQXCWSZQWMHJX-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 64814112
2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 64814582
2-amino-2-methyl-N-(4-methyloxolan-3-yl)butanamide
CID 164659168
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64812284
2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpentanamide
CID 107222009
2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113471946
trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 84689581
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
2-amino-N-(cyclopentylmethyl)-2-methylbutanamide
CID 79796793
2-amino-2-methyl-N-(oxan-4-yl)butanamide
CID 79797444
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid (CID 79811925) is 2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid is CCC(C)(N)C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LZQXCWSZQWMHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-12(2,13)11(17)14-9-7-5-4-6-8(9)10(15)16/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79811925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).