(5R)-2-amino-3-methyl-5-sulfanylhexanoic acid

C7H15NO2S — CID 88951823

IUPAC(5R)-2-amino-3-methyl-5-sulfanylhexanoic acid
SMILESCC(C[C@@H](C)S)C(N)C(=O)O
InChIInChI=1S/C7H15NO2S/c1-4(3-5(2)11)6(8)7(9)10/h4-6,11H,3,8H2,1-2H3,(H,9,10)/t4?,5-,6?/m1/s1
InChIKeyUWCJOSOCWXOWBI-INWUZDNDSA-N
MW177.27 g/mol
LogP0.74
Rot. Bonds4

About (5R)-2-amino-3-methyl-5-sulfanylhexanoic acid

(5R)-2-amino-3-methyl-5-sulfanylhexanoic acid (PubChem CID 88951823) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (5R)-2-amino-3-methyl-5-sulfanylhexanoic acid.

Molecular Properties

Compound Name(5R)-2-amino-3-methyl-5-sulfanylhexanoic acid
PubChem CID88951823
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(5R)-2-amino-3-methyl-5-sulfanylhexanoic acid
SMILESCC(C[C@@H](C)S)C(N)C(=O)O
InChIInChI=1S/C7H15NO2S/c1-4(3-5(2)11)6(8)7(9)10/h4-6,11H,3,8H2,1-2H3,(H,9,10)/t4?,5-,6?/m1/s1
InChIKeyUWCJOSOCWXOWBI-INWUZDNDSA-N
XLogP0.74
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-2-amino-3-methyl-5-sulfanylhexanoic 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

(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(3S)-2-amino-3-sulfanylbutanoic acid
CID 118648902
2-amino-3-methylpentanoic acid;manganese
CID 175109832
(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
2-amino-3-methylpentanoic acid;azane
CID 87185080
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
CID 88817643
(3R)-2-amino-3-methylpentanedioic acid
CID 90857110

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-3-methyl-5-sulfanylhexanoic acid?
The IUPAC name of (5R)-2-amino-3-methyl-5-sulfanylhexanoic acid (CID 88951823) is (5R)-2-amino-3-methyl-5-sulfanylhexanoic acid.
What is the SMILES notation for (5R)-2-amino-3-methyl-5-sulfanylhexanoic acid?
The canonical SMILES for (5R)-2-amino-3-methyl-5-sulfanylhexanoic acid is CC(C[C@@H](C)S)C(N)C(=O)O.
What is the InChIKey of (5R)-2-amino-3-methyl-5-sulfanylhexanoic acid?
The InChIKey is UWCJOSOCWXOWBI-INWUZDNDSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-4(3-5(2)11)6(8)7(9)10/h4-6,11H,3,8H2,1-2H3,(H,9,10)/t4?,5-,6?/m1/s1.
What are the key properties of (5R)-2-amino-3-methyl-5-sulfanylhexanoic acid?
(5R)-2-amino-3-methyl-5-sulfanylhexanoic acid has a molecular weight of 177.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-3-methyl-5-sulfanylhexanoic acid is sourced from PubChem (CID 88951823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).