(2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide

C12H24N2O — CID 104866235

IUPAC(2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide
SMILESCCC1(NC(=O)[C@@H](N)C(C)(C)C)CCC1
InChIInChI=1S/C12H24N2O/c1-5-12(7-6-8-12)14-10(15)9(13)11(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyMAQIQMXSENGAIK-SECBINFHSA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds3

About (2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide (PubChem CID 104866235) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide
PubChem CID104866235
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide
SMILESCCC1(NC(=O)[C@@H](N)C(C)(C)C)CCC1
InChIInChI=1S/C12H24N2O/c1-5-12(7-6-8-12)14-10(15)9(13)11(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyMAQIQMXSENGAIK-SECBINFHSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(1-cyano-1-methylethyl)-3,3-dimethylbutanamide
CID 23645891
(S)-N-tert-butyl-tert-leucinamide
CID 13995173
2-amino-N-tert-butyl-3,3-dimethylbutanamide
CID 13995171
(S)-2-Amino-N-cyclobutyl-3,3-dimethylbutanamide
CID 18660808
2-amino-N-cyclobutyl-3,3-dimethylbutanamide
CID 19083202
2-amino-N-tert-butyl-3-methylpentanamide
CID 21475992
(2S)-2-amino-N-tert-butyl-3-methylpentanamide
CID 22690932
L-isoleucine tert-butylamide
CID 42314162
2-isocyano-3,3-dimethyl-N-pentan-2-ylbutanamide
CID 59109321
N-(1-amino-2-methylbutan-2-yl)-2,2-dimethylbutanamide
CID 64549270
(S)-2-Amino-N-cyclobutyl-3,3-dimethylbutyramide hydrochloride
CID 66945525
2-amino-N-cyclobutyl-3,3-dimethylbutanamide;hydrochloride
CID 66945530

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide (CID 104866235) is (2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide is CCC1(NC(=O)[C@@H](N)C(C)(C)C)CCC1.
What is the InChIKey of (2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide?
The InChIKey is MAQIQMXSENGAIK-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-12(7-6-8-12)14-10(15)9(13)11(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 104866235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).