2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide

C8H19N3O2S — CID 106162327

IUPAC2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
SMILESCSC(CO)C(C)NCC(N)C(N)=O
InChIInChI=1S/C8H19N3O2S/c1-5(7(4-12)14-2)11-3-6(9)8(10)13/h5-7,11-12H,3-4,9H2,1-2H3,(H2,10,13)
InChIKeyCHMKSWBCRFHTRA-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.50
Rot. Bonds7

About 2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide

2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide (PubChem CID 106162327) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
PubChem CID106162327
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
SMILESCSC(CO)C(C)NCC(N)C(N)=O
InChIInChI=1S/C8H19N3O2S/c1-5(7(4-12)14-2)11-3-6(9)8(10)13/h5-7,11-12H,3-4,9H2,1-2H3,(H2,10,13)
InChIKeyCHMKSWBCRFHTRA-UHFFFAOYSA-N
XLogP-1.50
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160798
ethyl 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpropanoate
CID 106160496
2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide
CID 103238893
2-amino-3-(3-ethylpentan-2-ylamino)propanamide
CID 103250759
3-(2,2-dimethoxyethylamino)-2-methylsulfanylbutan-1-ol
CID 106158604
2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide
CID 103237040
2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide
CID 106161524
N'-hydroxy-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanimidamide
CID 106161765
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide
CID 106161596
N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106160739
1-(azepan-1-yl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]ethanone
CID 114151959
3-(4-hydroxybutylamino)-2-methylsulfanylbutan-1-ol
CID 106160735

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
The IUPAC name of 2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide (CID 106162327) is 2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide.
What is the SMILES notation for 2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
The canonical SMILES for 2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide is CSC(CO)C(C)NCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
The InChIKey is CHMKSWBCRFHTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-5(7(4-12)14-2)11-3-6(9)8(10)13/h5-7,11-12H,3-4,9H2,1-2H3,(H2,10,13).
What are the key properties of 2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide has a molecular weight of 221.33 g/mol, XLogP of -1.50, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide is sourced from PubChem (CID 106162327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).