2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid

C10H21NO3S — CID 107771793

IUPAC2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid
SMILESCCNC(C)(CSC(C)C(C)O)C(=O)O
InChIInChI=1S/C10H21NO3S/c1-5-11-10(4,9(13)14)6-15-8(3)7(2)12/h7-8,11-12H,5-6H2,1-4H3,(H,13,14)
InChIKeyLBWZFVZOKFTGSB-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.94
Rot. Bonds7

About 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid

2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid (PubChem CID 107771793) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid
PubChem CID107771793
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid
SMILESCCNC(C)(CSC(C)C(C)O)C(=O)O
InChIInChI=1S/C10H21NO3S/c1-5-11-10(4,9(13)14)6-15-8(3)7(2)12/h7-8,11-12H,5-6H2,1-4H3,(H,13,14)
InChIKeyLBWZFVZOKFTGSB-UHFFFAOYSA-N
XLogP0.94
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid 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

2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanamide
CID 107755689
2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid
CID 107755938
3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide
CID 107771709
methyl 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)propanoate
CID 107771732
2-(ethylamino)-4-methoxy-2-methylpentanoic acid
CID 64709074
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide
CID 107771710
4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)-2-(propylamino)propanoic acid
CID 107771845
3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid
CID 103489783
2-(ethylamino)-4-(3-hydroxypropylsulfanyl)-2-methylbutanoic acid
CID 66128538
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 112589153

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid?
The IUPAC name of 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid (CID 107771793) is 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid is CCNC(C)(CSC(C)C(C)O)C(=O)O.
What is the InChIKey of 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid?
The InChIKey is LBWZFVZOKFTGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-5-11-10(4,9(13)14)6-15-8(3)7(2)12/h7-8,11-12H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid?
2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid has a molecular weight of 235.35 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid is sourced from PubChem (CID 107771793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).