(2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide

C15H30N2O2S — CID 119344167

IUPAC(2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide
SMILESCCOC1CC(NC(=O)[C@@H](N)CCSC)C1(CC)CC
InChIInChI=1S/C15H30N2O2S/c1-5-15(6-2)12(10-13(15)19-7-3)17-14(18)11(16)8-9-20-4/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11-,12?,13?/m0/s1
InChIKeyHURXPBDMNAGJIF-HIFPTAJRSA-N
MW302.48 g/mol
LogP2.17
Rot. Bonds9

About (2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide (PubChem CID 119344167) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide
PubChem CID119344167
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name(2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide
SMILESCCOC1CC(NC(=O)[C@@H](N)CCSC)C1(CC)CC
InChIInChI=1S/C15H30N2O2S/c1-5-15(6-2)12(10-13(15)19-7-3)17-14(18)11(16)8-9-20-4/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11-,12?,13?/m0/s1
InChIKeyHURXPBDMNAGJIF-HIFPTAJRSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 104878201
(2S)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 103797512
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)pentanamide;hydrochloride
CID 119334950
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
1-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)cyclopentane-1-carboxamide
CID 119344173
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
CID 103950535
(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 104908109
(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide
CID 104908950
trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine
CID 95781902
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbutanamide
CID 104908561
(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite
CID 158556159

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide (CID 119344167) is (2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide is CCOC1CC(NC(=O)[C@@H](N)CCSC)C1(CC)CC.
What is the InChIKey of (2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide?
The InChIKey is HURXPBDMNAGJIF-HIFPTAJRSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-5-15(6-2)12(10-13(15)19-7-3)17-14(18)11(16)8-9-20-4/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11-,12?,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide has a molecular weight of 302.48 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 119344167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).