(2S)-2-methyl-2-(methylamino)oct-7-enoic acid

C10H19NO2 — CID 163656905

IUPAC(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
SMILESC=CCCCC[C@](C)(NC)C(=O)O
InChIInChI=1S/C10H19NO2/c1-4-5-6-7-8-10(2,11-3)9(12)13/h4,11H,1,5-8H2,2-3H3,(H,12,13)/t10-/m0/s1
InChIKeyIRAGLXQHMQXJSP-JTQLQIEISA-N
MW185.27 g/mol
LogP1.80
Rot. Bonds7

About (2S)-2-methyl-2-(methylamino)oct-7-enoic acid

(2S)-2-methyl-2-(methylamino)oct-7-enoic acid (PubChem CID 163656905) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-methyl-2-(methylamino)oct-7-enoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
PubChem CID163656905
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
SMILESC=CCCCC[C@](C)(NC)C(=O)O
InChIInChI=1S/C10H19NO2/c1-4-5-6-7-8-10(2,11-3)9(12)13/h4,11H,1,5-8H2,2-3H3,(H,12,13)/t10-/m0/s1
InChIKeyIRAGLXQHMQXJSP-JTQLQIEISA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334
2-methyl-2-(methylamino)nonanoic acid
CID 43753674
2-methoxycarbonyl-2-methylnon-8-enoic acid
CID 107010769
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
2-amino-2-methyldec-9-enoic acid
CID 76833646
(3S)-3-methyl-3-(methylamino)hept-6-en-2-one
CID 118335529
2-bromo-2-methylhept-6-enoic acid
CID 14195750
2-methyl-2-(methylamino)hex-5-enamide
CID 104655918
2-methyl-2-propyldec-9-enoic acid
CID 151821272
3-methyl-3-[[4-methyl-4-[[3-methyl-3-(methylamino)-2-oxooct-7-enyl]amino]-3-oxonon-8-enyl]amino]undec-10-en-2-one
CID 139335666
8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid
CID 66222169

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(methylamino)oct-7-enoic acid?
The IUPAC name of (2S)-2-methyl-2-(methylamino)oct-7-enoic acid (CID 163656905) is (2S)-2-methyl-2-(methylamino)oct-7-enoic acid.
What is the SMILES notation for (2S)-2-methyl-2-(methylamino)oct-7-enoic acid?
The canonical SMILES for (2S)-2-methyl-2-(methylamino)oct-7-enoic acid is C=CCCCC[C@](C)(NC)C(=O)O.
What is the InChIKey of (2S)-2-methyl-2-(methylamino)oct-7-enoic acid?
The InChIKey is IRAGLXQHMQXJSP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-6-7-8-10(2,11-3)9(12)13/h4,11H,1,5-8H2,2-3H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-2-(methylamino)oct-7-enoic acid?
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(methylamino)oct-7-enoic acid is sourced from PubChem (CID 163656905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).