(2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide

C12H24N2O — CID 54757478

IUPAC(2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-9(2)11(13)12(15)14-8-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyVYYCUVGXZQDLCU-LLVKDONJSA-N
MW212.34 g/mol
LogP1.67
Rot. Bonds4

About (2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide

(2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide (PubChem CID 54757478) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide
PubChem CID54757478
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-9(2)11(13)12(15)14-8-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyVYYCUVGXZQDLCU-LLVKDONJSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide (CID 54757478) is (2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)NCC1CCCCC1.
What is the InChIKey of (2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide?
The InChIKey is VYYCUVGXZQDLCU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)11(13)12(15)14-8-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide?
(2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(cyclohexylmethyl)-3-methylbutanamide is sourced from PubChem (CID 54757478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).