(2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide

C12H24N2O — CID 79362524

IUPAC(2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C12H24N2O/c1-7(2)8(13)9(15)14-10-11(3,4)12(10,5)6/h7-8,10H,13H2,1-6H3,(H,14,15)/t8-/m0/s1
InChIKeyIKZCTWVEKBYGAU-QMMMGPOBSA-N
MW212.34 g/mol
LogP1.52
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide

(2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide (PubChem CID 79362524) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide
PubChem CID79362524
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C12H24N2O/c1-7(2)8(13)9(15)14-10-11(3,4)12(10,5)6/h7-8,10H,13H2,1-6H3,(H,14,15)/t8-/m0/s1
InChIKeyIKZCTWVEKBYGAU-QMMMGPOBSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide (CID 79362524) is (2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide is CC(C)[C@H](N)C(=O)NC1C(C)(C)C1(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide?
The InChIKey is IKZCTWVEKBYGAU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H24N2O/c1-7(2)8(13)9(15)14-10-11(3,4)12(10,5)6/h7-8,10H,13H2,1-6H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide?
(2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide is sourced from PubChem (CID 79362524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).