4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide

C10H22N2O3S — CID 106247589

IUPAC4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)(O)CSC
InChIInChI=1S/C10H22N2O3S/c1-10(14,7-16-3)6-12-9(13)4-8(5-11)15-2/h8,14H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyNYLYXSSSKMOVGE-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.42
Rot. Bonds8

About 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide

4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide (PubChem CID 106247589) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
PubChem CID106247589
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)(O)CSC
InChIInChI=1S/C10H22N2O3S/c1-10(14,7-16-3)6-12-9(13)4-8(5-11)15-2/h8,14H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyNYLYXSSSKMOVGE-UHFFFAOYSA-N
XLogP-0.42
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247798
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
CID 103522092
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106244340
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
CID 114125401
2-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethoxy]acetic acid
CID 106244362
2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 106248558
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591741
4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
CID 106247749
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591825

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide (CID 106247589) is 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide is COC(CN)CC(=O)NCC(C)(O)CSC.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide?
The InChIKey is NYLYXSSSKMOVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-10(14,7-16-3)6-12-9(13)4-8(5-11)15-2/h8,14H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide?
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide has a molecular weight of 250.36 g/mol, XLogP of -0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide is sourced from PubChem (CID 106247589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).