2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid

C12H22N2O3 — CID 83213858

IUPAC2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC(C)(N)C(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-11(2,13)9(15)14-8-6-4-5-7-12(8,3)10(16)17/h8H,4-7,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyQLWBBNHWZTZRDK-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds3

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

2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83213858) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID83213858
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC(C)(N)C(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-11(2,13)9(15)14-8-6-4-5-7-12(8,3)10(16)17/h8H,4-7,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyQLWBBNHWZTZRDK-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid (CID 83213858) is 2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid is CC(C)(N)C(=O)NC1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is QLWBBNHWZTZRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,13)9(15)14-8-6-4-5-7-12(8,3)10(16)17/h8H,4-7,13H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83213858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).