(E,2S)-2-amino-2-methylnon-6-enoic acid

C10H19NO2 — CID 146681155

IUPAC(E,2S)-2-amino-2-methylnon-6-enoic acid
SMILESCC/C=C/CCC[C@](C)(N)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h4-5H,3,6-8,11H2,1-2H3,(H,12,13)/b5-4+/t10-/m0/s1
InChIKeyFTUDBYYFEJZDPE-YEZKRMTDSA-N
MW185.27 g/mol
LogP1.92
Rot. Bonds6

About (E,2S)-2-amino-2-methylnon-6-enoic acid

(E,2S)-2-amino-2-methylnon-6-enoic acid (PubChem CID 146681155) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E,2S)-2-amino-2-methylnon-6-enoic acid.

Molecular Properties

Compound Name(E,2S)-2-amino-2-methylnon-6-enoic acid
PubChem CID146681155
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E,2S)-2-amino-2-methylnon-6-enoic acid
SMILESCC/C=C/CCC[C@](C)(N)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h4-5H,3,6-8,11H2,1-2H3,(H,12,13)/b5-4+/t10-/m0/s1
InChIKeyFTUDBYYFEJZDPE-YEZKRMTDSA-N
XLogP1.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.92
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

(s)-2-Amino-2-methylhept-6-enoic acid
CID 16043571
(R)-2-amino-2-methyldec-9-enoic acid
CID 58571232
2-Amino-2-methyldodec-11-enoic acid
CID 233531
(R)-2-amino-2-methylhept-6-enoic acid
CID 58571237
2,2-Bis(4-pentenyl)glycine
CID 87318887
Alpha-Methyldihydrophenylalanine
CID 129890460
2-Amino-2-(2-cyclopentenyl)propanoic acid
CID 130987040
(2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid
CID 11252133
2-Amino-2-(2-methylpropyl)pent-4-enoic acid
CID 14702093
1-Amino-3-methylcyclopent-3-ene-1-carboxylic acid
CID 19077646
1-Amino-3-methylcyclopent-2-ene-1-carboxylic acid
CID 19077668
2-Amino-2-ethylhex-5-enoic acid
CID 20149468

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-amino-2-methylnon-6-enoic acid?
The IUPAC name of (E,2S)-2-amino-2-methylnon-6-enoic acid (CID 146681155) is (E,2S)-2-amino-2-methylnon-6-enoic acid.
What is the SMILES notation for (E,2S)-2-amino-2-methylnon-6-enoic acid?
The canonical SMILES for (E,2S)-2-amino-2-methylnon-6-enoic acid is CC/C=C/CCC[C@](C)(N)C(=O)O.
What is the InChIKey of (E,2S)-2-amino-2-methylnon-6-enoic acid?
The InChIKey is FTUDBYYFEJZDPE-YEZKRMTDSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h4-5H,3,6-8,11H2,1-2H3,(H,12,13)/b5-4+/t10-/m0/s1.
What are the key properties of (E,2S)-2-amino-2-methylnon-6-enoic acid?
(E,2S)-2-amino-2-methylnon-6-enoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-amino-2-methylnon-6-enoic acid is sourced from PubChem (CID 146681155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).