(2S)-2-amino-2-methylundecanoic acid

C12H25NO2 — CID 11390280

IUPAC(2S)-2-amino-2-methylundecanoic acid
SMILESCCCCCCCCC[C@](C)(N)C(=O)O
InChIInChI=1S/C12H25NO2/c1-3-4-5-6-7-8-9-10-12(2,13)11(14)15/h3-10,13H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyAVOOJFIWCZFMNT-LBPRGKRZSA-N
MW215.34 g/mol
LogP2.93
Rot. Bonds9

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

(2S)-2-amino-2-methylundecanoic acid (PubChem CID 11390280) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-2-amino-2-methylundecanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-methylundecanoic acid
PubChem CID11390280
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2S)-2-amino-2-methylundecanoic acid
SMILESCCCCCCCCC[C@](C)(N)C(=O)O
InChIInChI=1S/C12H25NO2/c1-3-4-5-6-7-8-9-10-12(2,13)11(14)15/h3-10,13H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyAVOOJFIWCZFMNT-LBPRGKRZSA-N
XLogP2.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.93
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-methylundecanoic acid?
The IUPAC name of (2S)-2-amino-2-methylundecanoic acid (CID 11390280) is (2S)-2-amino-2-methylundecanoic acid.
What is the SMILES notation for (2S)-2-amino-2-methylundecanoic acid?
The canonical SMILES for (2S)-2-amino-2-methylundecanoic acid is CCCCCCCCC[C@](C)(N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-methylundecanoic acid?
The InChIKey is AVOOJFIWCZFMNT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-4-5-6-7-8-9-10-12(2,13)11(14)15/h3-10,13H2,1-2H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-2-methylundecanoic acid?
(2S)-2-amino-2-methylundecanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methylundecanoic acid is sourced from PubChem (CID 11390280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).