2-amino-7-methyl-6-sulfanylnonanoic acid

C10H21NO2S — CID 141416671

IUPAC2-amino-7-methyl-6-sulfanylnonanoic acid
SMILESCCC(C)C(S)CCCC(N)C(=O)O
InChIInChI=1S/C10H21NO2S/c1-3-7(2)9(14)6-4-5-8(11)10(12)13/h7-9,14H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyLYXPDMSIBNSJSV-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.91
Rot. Bonds7

About 2-amino-7-methyl-6-sulfanylnonanoic acid

2-amino-7-methyl-6-sulfanylnonanoic acid (PubChem CID 141416671) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-amino-7-methyl-6-sulfanylnonanoic acid.

Molecular Properties

Compound Name2-amino-7-methyl-6-sulfanylnonanoic acid
PubChem CID141416671
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-amino-7-methyl-6-sulfanylnonanoic acid
SMILESCCC(C)C(S)CCCC(N)C(=O)O
InChIInChI=1S/C10H21NO2S/c1-3-7(2)9(14)6-4-5-8(11)10(12)13/h7-9,14H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyLYXPDMSIBNSJSV-UHFFFAOYSA-N
XLogP1.91
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-9-methyl-8-sulfanylundecanoic acid
CID 141416580
2,6-diaminoheptanedioic acid
CID 865
(2S,3S)-2-amino-3-methylpentanoic acid;2-aminooctanoic acid
CID 158523368
2-amino-8-methyldecanoic acid
CID 167110003
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2R,3S)-3-methyl-2-sulfanylpentanoic acid
CID 55302342
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
2-aminotetracosanoic acid
CID 88730229
2-amino-7-sulfanylheptanoic acid
CID 56957911
(2S)-2-aminopentacosanoic acid
CID 158815459

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-6-sulfanylnonanoic acid?
The IUPAC name of 2-amino-7-methyl-6-sulfanylnonanoic acid (CID 141416671) is 2-amino-7-methyl-6-sulfanylnonanoic acid.
What is the SMILES notation for 2-amino-7-methyl-6-sulfanylnonanoic acid?
The canonical SMILES for 2-amino-7-methyl-6-sulfanylnonanoic acid is CCC(C)C(S)CCCC(N)C(=O)O.
What is the InChIKey of 2-amino-7-methyl-6-sulfanylnonanoic acid?
The InChIKey is LYXPDMSIBNSJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-7(2)9(14)6-4-5-8(11)10(12)13/h7-9,14H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-7-methyl-6-sulfanylnonanoic acid?
2-amino-7-methyl-6-sulfanylnonanoic acid has a molecular weight of 219.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-6-sulfanylnonanoic acid is sourced from PubChem (CID 141416671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).