(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene

C15H31NO2S — CID 87392704

IUPAC(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene
SMILESC=CCCCCCCCC.CC(C)(S)[C@H](N)C(=O)O
InChIInChI=1S/C10H20.C5H11NO2S/c1-3-5-7-9-10-8-6-4-2;1-5(2,9)3(6)4(7)8/h3H,1,4-10H2,2H3;3,9H,6H2,1-2H3,(H,7,8)/t;3-/m.1/s1
InChIKeyQAQPJYNHXLGVBA-ZYRQIYSTSA-N
MW289.49 g/mol
LogP4.03
Rot. Bonds9

About (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene

(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene (PubChem CID 87392704) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene
PubChem CID87392704
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene
SMILESC=CCCCCCCCC.CC(C)(S)[C@H](N)C(=O)O
InChIInChI=1S/C10H20.C5H11NO2S/c1-3-5-7-9-10-8-6-4-2;1-5(2,9)3(6)4(7)8/h3H,1,4-10H2,2H3;3,9H,6H2,1-2H3,(H,7,8)/t;3-/m.1/s1
InChIKeyQAQPJYNHXLGVBA-ZYRQIYSTSA-N
XLogP4.03
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.03
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

2-amino-3-methyl-3-sulfanylnon-8-enoic acid
CID 149314519
2-pentyldec-9-enoic acid
CID 175975601
acetic acid;oct-1-ene
CID 159976970
acetic acid;octadec-1-ene;zinc
CID 175392389
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese
CID 175737812
tetrakis((2S)-2-amino-3-methyl-3-sulfanylbutanoic acid);sulfane
CID 173050737
tricos-1-en-11-one
CID 146680996
pentacos-1-en-11-one
CID 21420755
pentadec-14-en-7-one
CID 11528685
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
octadeca-1,17-diene;tetradec-1-ene
CID 173070986

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene?
The IUPAC name of (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene (CID 87392704) is (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene.
What is the SMILES notation for (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene?
The canonical SMILES for (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene is C=CCCCCCCCC.CC(C)(S)[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene?
The InChIKey is QAQPJYNHXLGVBA-ZYRQIYSTSA-N. The full InChI is InChI=1S/C10H20.C5H11NO2S/c1-3-5-7-9-10-8-6-4-2;1-5(2,9)3(6)4(7)8/h3H,1,4-10H2,2H3;3,9H,6H2,1-2H3,(H,7,8)/t;3-/m.1/s1.
What are the key properties of (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene?
(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene has a molecular weight of 289.49 g/mol, XLogP of 4.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene is sourced from PubChem (CID 87392704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).