2-amino-3-methyl-3-sulfanylnon-8-enoic acid

C10H19NO2S — CID 149314519

IUPAC2-amino-3-methyl-3-sulfanylnon-8-enoic acid
SMILESC=CCCCCC(C)(S)C(N)C(=O)O
InChIInChI=1S/C10H19NO2S/c1-3-4-5-6-7-10(2,14)8(11)9(12)13/h3,8,14H,1,4-7,11H2,2H3,(H,12,13)
InChIKeyXZGBDRKTSUIKRI-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.83
Rot. Bonds7

About 2-amino-3-methyl-3-sulfanylnon-8-enoic acid

2-amino-3-methyl-3-sulfanylnon-8-enoic acid (PubChem CID 149314519) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-amino-3-methyl-3-sulfanylnon-8-enoic acid.

Molecular Properties

Compound Name2-amino-3-methyl-3-sulfanylnon-8-enoic acid
PubChem CID149314519
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-amino-3-methyl-3-sulfanylnon-8-enoic acid
SMILESC=CCCCCC(C)(S)C(N)C(=O)O
InChIInChI=1S/C10H19NO2S/c1-3-4-5-6-7-10(2,14)8(11)9(12)13/h3,8,14H,1,4-7,11H2,2H3,(H,12,13)
InChIKeyXZGBDRKTSUIKRI-UHFFFAOYSA-N
XLogP1.83
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene
CID 87392704
2-amino-2-methyldec-9-enoic acid
CID 76833646
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
(2S)-2-amino-3-but-3-enylsulfanyl-3-methylbutanoic acid
CID 106443511
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
(2R)-2-aminohept-6-enoic acid
CID 71352792
2-bromo-2-methylhept-6-enoic acid
CID 14195750
2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
CID 87921197
(2S)-2-amino-2-methyldec-9-enoic acid;(2R)-2-amino-2-methyldec-9-enoic acid;(2S)-2-amino-2-methylhept-6-enoic acid;(2R)-2-amino-2-methylhept-6-enoic acid;2-amino-2-pent-4-enylhept-6-enoic acid;methane
CID 167617525
2-amino-2-ethenylnon-8-enoic acid
CID 156562405
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
2-methyl-2-propyldec-9-enoic acid
CID 151821272

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-3-sulfanylnon-8-enoic acid?
The IUPAC name of 2-amino-3-methyl-3-sulfanylnon-8-enoic acid (CID 149314519) is 2-amino-3-methyl-3-sulfanylnon-8-enoic acid.
What is the SMILES notation for 2-amino-3-methyl-3-sulfanylnon-8-enoic acid?
The canonical SMILES for 2-amino-3-methyl-3-sulfanylnon-8-enoic acid is C=CCCCCC(C)(S)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-methyl-3-sulfanylnon-8-enoic acid?
The InChIKey is XZGBDRKTSUIKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-4-5-6-7-10(2,14)8(11)9(12)13/h3,8,14H,1,4-7,11H2,2H3,(H,12,13).
What are the key properties of 2-amino-3-methyl-3-sulfanylnon-8-enoic acid?
2-amino-3-methyl-3-sulfanylnon-8-enoic acid has a molecular weight of 217.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-3-sulfanylnon-8-enoic acid is sourced from PubChem (CID 149314519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).