2-amino-5-sulfanylnonanoic acid

C9H19NO2S — CID 141416596

IUPAC2-amino-5-sulfanylnonanoic acid
SMILESCCCCC(S)CCC(N)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-2-3-4-7(13)5-6-8(10)9(11)12/h7-8,13H,2-6,10H2,1H3,(H,11,12)
InChIKeyIDXXBCTWDPYKDT-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.67
Rot. Bonds7

About 2-amino-5-sulfanylnonanoic acid

2-amino-5-sulfanylnonanoic acid (PubChem CID 141416596) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-amino-5-sulfanylnonanoic acid.

Molecular Properties

Compound Name2-amino-5-sulfanylnonanoic acid
PubChem CID141416596
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-amino-5-sulfanylnonanoic acid
SMILESCCCCC(S)CCC(N)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-2-3-4-7(13)5-6-8(10)9(11)12/h7-8,13H,2-6,10H2,1H3,(H,11,12)
InChIKeyIDXXBCTWDPYKDT-UHFFFAOYSA-N
XLogP1.67
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.67
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

(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 170901472
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
2-aminohexadecanoic acid;azane
CID 175267671
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-sulfanylnonanoic acid?
The IUPAC name of 2-amino-5-sulfanylnonanoic acid (CID 141416596) is 2-amino-5-sulfanylnonanoic acid.
What is the SMILES notation for 2-amino-5-sulfanylnonanoic acid?
The canonical SMILES for 2-amino-5-sulfanylnonanoic acid is CCCCC(S)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-sulfanylnonanoic acid?
The InChIKey is IDXXBCTWDPYKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-3-4-7(13)5-6-8(10)9(11)12/h7-8,13H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-5-sulfanylnonanoic acid?
2-amino-5-sulfanylnonanoic acid has a molecular weight of 205.32 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-sulfanylnonanoic acid is sourced from PubChem (CID 141416596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).