(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid

C8H15NO3S2 — CID 14969956

IUPAC(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid
SMILESCC(C)(S)C(=O)N[C@H](CCS)C(=O)O
InChIInChI=1S/C8H15NO3S2/c1-8(2,14)7(12)9-5(3-4-13)6(10)11/h5,13-14H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5-/m1/s1
InChIKeyQFPIAXFOSYMMDD-RXMQYKEDSA-N
MW237.35 g/mol
LogP0.58
Rot. Bonds5

About (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid

(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid (PubChem CID 14969956) has the molecular formula C8H15NO3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid
PubChem CID14969956
Molecular FormulaC8H15NO3S2
Molecular Weight237.35 g/mol
Exact Mass237.05
IUPAC Name(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid
SMILESCC(C)(S)C(=O)N[C@H](CCS)C(=O)O
InChIInChI=1S/C8H15NO3S2/c1-8(2,14)7(12)9-5(3-4-13)6(10)11/h5,13-14H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5-/m1/s1
InChIKeyQFPIAXFOSYMMDD-RXMQYKEDSA-N
XLogP0.58
TPSA66.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic 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-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
CID 2459
(2R)-3-sulfanyl-2-[[3,3,3-trideuterio-2-sulfanyl-2-(trideuteriomethyl)propanoyl]amino]propanoic acid
CID 169435121
3-ethylsulfanyl-2-[(2-methyl-2-sulfanylpropanoyl)amino]propanoic acid
CID 170448274
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-sulfanylbutanoic acid
CID 11148435
(2S)-2-[(2-methyl-2-sulfanylpropanoyl)amino]propanoic acid
CID 139669849
3-methyl-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylbutanoic acid
CID 142441029
(2S)-4-sulfanyl-2-(trifluoromethylamino)butanoic acid
CID 54534650
3-[[3-[[2-carboxy-2-[(2-methyl-2-sulfanylpropanoyl)amino]ethyl]disulfanyl]-8-sulfanylnonyl]disulfanyl]-2-[(2-methyl-2-sulfanylpropanoyl)amino]propanoic acid
CID 167189726
(2R)-2-(decanoylamino)-4-sulfanylbutanoic acid
CID 88510287
(2S)-2-(decanoylamino)-4-sulfanylbutanoic acid
CID 54099715
(2S)-2-[2-[(1R)-1-carboxy-2-sulfanylethyl]hydrazinyl]-4-sulfanylbutanoic acid
CID 175742522
(2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid
CID 107835553

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid?
The IUPAC name of (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid (CID 14969956) is (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid is CC(C)(S)C(=O)N[C@H](CCS)C(=O)O.
What is the InChIKey of (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid?
The InChIKey is QFPIAXFOSYMMDD-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H15NO3S2/c1-8(2,14)7(12)9-5(3-4-13)6(10)11/h5,13-14H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid?
(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid has a molecular weight of 237.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-4-sulfanylbutanoic acid is sourced from PubChem (CID 14969956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).