(2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid

C10H17NO4S — CID 30054302

IUPAC(2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
SMILESCSCC[C@@H](NC(=O)[C@@H]1CCCO1)C(=O)O
InChIInChI=1S/C10H17NO4S/c1-16-6-4-7(10(13)14)11-9(12)8-3-2-5-15-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)/t7-,8+/m1/s1
InChIKeyCCOFHLDHKHXIEX-SFYZADRCSA-N
MW247.32 g/mol
LogP0.49
Rot. Bonds6

About (2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid

(2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid (PubChem CID 30054302) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is (2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
PubChem CID30054302
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name(2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
SMILESCSCC[C@@H](NC(=O)[C@@H]1CCCO1)C(=O)O
InChIInChI=1S/C10H17NO4S/c1-16-6-4-7(10(13)14)11-9(12)8-3-2-5-15-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)/t7-,8+/m1/s1
InChIKeyCCOFHLDHKHXIEX-SFYZADRCSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic 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

(R)-2-((R)-3-Amino-5-ethylsulfanyl-2-hydroxy-pentanoylamino)-propionic acid ethyl ester
CID 44338009
(S)-2-((R)-3-Amino-2-hydroxy-5-methylsulfanyl-pentanoylamino)-propionic acid ethyl ester
CID 15516886
(S)-2-((R)-3-Amino-5-ethylsulfanyl-2-hydroxy-pentanoylamino)-propionic acid ethyl ester
CID 20660272
Glutathione glycylethyl ester
CID 3036127
ethyl (2S)-2-[(2S,3R)-3-amino-2-hydroxy-5-(methylsulfanyl)pentanamido]propanoate
CID 23647751
ethyl (2S)-2-[(2S,3R)-3-amino-5-(ethylsulfanyl)-2-hydroxypentanamido]propanoate
CID 23647752
(S)-2-((R)-3-Amino-2-hydroxy-5-isopropylsulfanyl-pentanoylamino)-propionic acid ethyl ester
CID 44381665
Ethyl 2-[(3-amino-2-hydroxy-5-methylsulfanylpentanoyl)amino]propanoate
CID 9860457
Ethyl 2-[(3-amino-5-ethylsulfanyl-2-hydroxypentanoyl)amino]propanoate
CID 9904150
2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(2-ethoxycarbonyl-2-oxo-ethylsulfanyl)-ethylcarbamoyl]-butyric acid
CID 10295709
ethyl (2S)-2-[[(3S)-3-amino-2-hydroxy-5-methylsulfanylpentanoyl]amino]propanoate
CID 15516885
(2S)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 18654162

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid?
The IUPAC name of (2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid (CID 30054302) is (2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid is CSCC[C@@H](NC(=O)[C@@H]1CCCO1)C(=O)O.
What is the InChIKey of (2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid?
The InChIKey is CCOFHLDHKHXIEX-SFYZADRCSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-16-6-4-7(10(13)14)11-9(12)8-3-2-5-15-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)/t7-,8+/m1/s1.
What are the key properties of (2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid?
(2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid has a molecular weight of 247.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 30054302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).