3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide

C9H20N2O3S — CID 106161500

IUPAC3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C9H20N2O3S/c1-6(8(5-12)15-3)11-9(13)7(4-10)14-2/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyGMMKNHVVUFIDAU-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.81
Rot. Bonds7

About 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide

3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide (PubChem CID 106161500) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide
PubChem CID106161500
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C9H20N2O3S/c1-6(8(5-12)15-3)11-9(13)7(4-10)14-2/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyGMMKNHVVUFIDAU-UHFFFAOYSA-N
XLogP-0.81
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(2-methoxyethyl)-4-(methylsulfanyl)butanamide
CID 165782658
(3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide
CID 20660319
(2S)-2-hydroxy-N-[(2R)-4-methylsulfanylbutan-2-yl]propanamide
CID 89902137
N-[3-(dimethylamino)propyl]-2-hydroxy-3-methylsulfanylpropanamide
CID 123997131
(2R)-N-[(2S)-2-hydroxypropyl]-2-[(3-hydroxypropylamino)methyl]-3-methylsulfanylpropanamide
CID 134477394
4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide
CID 140671742
2-hydroxy-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 175350903
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxypropanamide
CID 103767487
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1,4-dioxane-2-carboxamide
CID 103798859
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
CID 103798873
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide
CID 103798976
2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103799056

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide (CID 106161500) is 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide is COC(CN)C(=O)NC(C)C(CO)SC.
What is the InChIKey of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide?
The InChIKey is GMMKNHVVUFIDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-6(8(5-12)15-3)11-9(13)7(4-10)14-2/h6-8,12H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide?
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide has a molecular weight of 236.34 g/mol, XLogP of -0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide is sourced from PubChem (CID 106161500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).