(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide

C9H20N2OS — CID 104864440

IUPAC(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide
SMILESCC[C@@H](N)C(=O)NCC(C)(C)SC
InChIInChI=1S/C9H20N2OS/c1-5-7(10)8(12)11-6-9(2,3)13-4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m1/s1
InChIKeyDOAMPKRASYYDEQ-SSDOTTSWSA-N
MW204.34 g/mol
LogP0.98
Rot. Bonds5

About (2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide

(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide (PubChem CID 104864440) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide
PubChem CID104864440
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide
SMILESCC[C@@H](N)C(=O)NCC(C)(C)SC
InChIInChI=1S/C9H20N2OS/c1-5-7(10)8(12)11-6-9(2,3)13-4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m1/s1
InChIKeyDOAMPKRASYYDEQ-SSDOTTSWSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,2-dimethylbutyl)butanamide
CID 103461499
3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
CID 115427879
2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 122359947
2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide
CID 113264228
3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide
CID 106113782
2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 115734389
(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide
CID 104861437
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 106254850
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103461634
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
1-tert-butyl-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 115695158

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide?
The IUPAC name of (2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide (CID 104864440) is (2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide is CC[C@@H](N)C(=O)NCC(C)(C)SC.
What is the InChIKey of (2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide?
The InChIKey is DOAMPKRASYYDEQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-5-7(10)8(12)11-6-9(2,3)13-4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide?
(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide has a molecular weight of 204.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide is sourced from PubChem (CID 104864440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).