1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate

C10H21NO3S — CID 103489110

IUPAC1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate
SMILESCCOCC(C)OC(=O)[C@@H](N)CCSC
InChIInChI=1S/C10H21NO3S/c1-4-13-7-8(2)14-10(12)9(11)5-6-15-3/h8-9H,4-7,11H2,1-3H3/t8?,9-/m0/s1
InChIKeyYOTQWSHJOAFCRX-GKAPJAKFSA-N
MW235.35 g/mol
LogP1.03
Rot. Bonds8

About 1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate

1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate (PubChem CID 103489110) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate
PubChem CID103489110
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate
SMILESCCOCC(C)OC(=O)[C@@H](N)CCSC
InChIInChI=1S/C10H21NO3S/c1-4-13-7-8(2)14-10(12)9(11)5-6-15-3/h8-9H,4-7,11H2,1-3H3/t8?,9-/m0/s1
InChIKeyYOTQWSHJOAFCRX-GKAPJAKFSA-N
XLogP1.03
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate 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-amino-4-methylsulfanylbutanoic acid;ethoxyethane
CID 141375461
(2-amino-4-methylsulfanylbutanoyl)oxymethyl 2-amino-4-methylsulfanylbutanoate
CID 158198459
2-[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87587712
1-methoxypropan-2-yl (2S)-2-aminohexanoate
CID 107145228
amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 141292126
methyl 2-amino-4-methylsulfanylbutanoate chloride
CID 170923229
4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane
CID 142239470
iodo (2S)-2-amino-4-methylsulfanylbutanoate
CID 18444120
1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
CID 107825394
methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
CID 138397899
1-ethoxypropan-2-yl 5-amino-4-methylpentanoate
CID 103488924
pentan-2-yl (2S)-2-aminopentanoate
CID 107565809

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate?
The IUPAC name of 1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate (CID 103489110) is 1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate.
What is the SMILES notation for 1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate?
The canonical SMILES for 1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate is CCOCC(C)OC(=O)[C@@H](N)CCSC.
What is the InChIKey of 1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate?
The InChIKey is YOTQWSHJOAFCRX-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-4-13-7-8(2)14-10(12)9(11)5-6-15-3/h8-9H,4-7,11H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of 1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate?
1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate has a molecular weight of 235.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate is sourced from PubChem (CID 103489110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).