2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid

C9H19NO2S — CID 106487189

IUPAC2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid
SMILESCCSCCCC(C)(CN)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-3-13-6-4-5-9(2,7-10)8(11)12/h3-7,10H2,1-2H3,(H,11,12)
InChIKeyXNHIQNMTAIYSPB-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.57
Rot. Bonds7

About 2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid

2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid (PubChem CID 106487189) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid
PubChem CID106487189
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid
SMILESCCSCCCC(C)(CN)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-3-13-6-4-5-9(2,7-10)8(11)12/h3-7,10H2,1-2H3,(H,11,12)
InChIKeyXNHIQNMTAIYSPB-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
CID 106487235
2-butyl-2-methylhexanoic acid
CID 15930803
2-hexyl-2-methyldecanoic acid
CID 86051716
2-decyl-2-methyltetradecanoic acid
CID 611890
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121
2-decyl-2-methylicosanoic acid
CID 174997379
2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol
CID 106506313
(2S,5R)-2,5-bis(3-ethylsulfanylpropyl)hexanedioic acid
CID 92532678
2-(aminomethyl)-8-anilino-2-methyloctanoic acid
CID 142774643
CID 173125900
CID 173125900
1-amino-5-butylsulfanyl-2-methylpentan-2-ol
CID 64814257

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid (CID 106487189) is 2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid is CCSCCCC(C)(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid?
The InChIKey is XNHIQNMTAIYSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-13-6-4-5-9(2,7-10)8(11)12/h3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid?
2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid has a molecular weight of 205.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid is sourced from PubChem (CID 106487189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).