(2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid

C9H19NO5S2 — CID 104906657

IUPAC(2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid
SMILESCOCCCS(=O)(=O)N[C@H](CCSC)C(=O)O
InChIInChI=1S/C9H19NO5S2/c1-15-5-3-7-17(13,14)10-8(9(11)12)4-6-16-2/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyZFHVWFJMRCIWIX-MRVPVSSYSA-N
MW285.39 g/mol
LogP0.15
Rot. Bonds10

About (2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid

(2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid (PubChem CID 104906657) has the molecular formula C9H19NO5S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid
PubChem CID104906657
Molecular FormulaC9H19NO5S2
Molecular Weight285.39 g/mol
Exact Mass285.07
IUPAC Name(2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid
SMILESCOCCCS(=O)(=O)N[C@H](CCSC)C(=O)O
InChIInChI=1S/C9H19NO5S2/c1-15-5-3-7-17(13,14)10-8(9(11)12)4-6-16-2/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyZFHVWFJMRCIWIX-MRVPVSSYSA-N
XLogP0.15
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic 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

(2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906584
(2S)-5-amino-2-(3-methoxypropylsulfonylamino)-5-oxopentanoic acid
CID 55172494
2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 4961765
2-(3,3-dimethylbutylsulfonylamino)-5-methoxypentanoic acid
CID 104936567
(2R)-2-(4-methoxybutanoylamino)-4-methylsulfanylbutanoic acid
CID 104906195
2-(2-methoxyethylamino)-4-methylsulfanylbutanoic acid
CID 62541222
2-(cyclopropylmethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 64987474
4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid
CID 62480752
4-methylsulfanyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 60892085
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
(2S)-2-(methoxyamino)-4-methylsulfanylbutanoic acid
CID 154085553
4-methylsulfanyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43170236

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid (CID 104906657) is (2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid is COCCCS(=O)(=O)N[C@H](CCSC)C(=O)O.
What is the InChIKey of (2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid?
The InChIKey is ZFHVWFJMRCIWIX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO5S2/c1-15-5-3-7-17(13,14)10-8(9(11)12)4-6-16-2/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid?
(2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid has a molecular weight of 285.39 g/mol, XLogP of 0.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 104906657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).