(2S)-2-amino-2-methyloctanoic acid

C9H19NO2 — CID 11332749

IUPAC(2S)-2-amino-2-methyloctanoic acid
SMILESCCCCCC[C@](C)(N)C(=O)O
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-9(2,10)8(11)12/h3-7,10H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyZVGFZQSYGLIZHE-VIFPVBQESA-N
MW173.26 g/mol
LogP1.76
Rot. Bonds6

About (2S)-2-amino-2-methyloctanoic acid

(2S)-2-amino-2-methyloctanoic acid (PubChem CID 11332749) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-amino-2-methyloctanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-methyloctanoic acid
PubChem CID11332749
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-2-amino-2-methyloctanoic acid
SMILESCCCCCC[C@](C)(N)C(=O)O
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-9(2,10)8(11)12/h3-7,10H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyZVGFZQSYGLIZHE-VIFPVBQESA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-methyloctanoic acid?
The IUPAC name of (2S)-2-amino-2-methyloctanoic acid (CID 11332749) is (2S)-2-amino-2-methyloctanoic acid.
What is the SMILES notation for (2S)-2-amino-2-methyloctanoic acid?
The canonical SMILES for (2S)-2-amino-2-methyloctanoic acid is CCCCCC[C@](C)(N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-methyloctanoic acid?
The InChIKey is ZVGFZQSYGLIZHE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-6-7-9(2,10)8(11)12/h3-7,10H2,1-2H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-methyloctanoic acid?
(2S)-2-amino-2-methyloctanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methyloctanoic acid is sourced from PubChem (CID 11332749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).