2-amino-2-methyltetradecanoic acid

C15H31NO2 — CID 22665190

IUPAC2-amino-2-methyltetradecanoic acid
SMILESCCCCCCCCCCCCC(C)(N)C(=O)O
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2,16)14(17)18/h3-13,16H2,1-2H3,(H,17,18)
InChIKeyWBEHKXQILJKFIN-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.10
Rot. Bonds12

About 2-amino-2-methyltetradecanoic acid

2-amino-2-methyltetradecanoic acid (PubChem CID 22665190) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-amino-2-methyltetradecanoic acid.

Molecular Properties

Compound Name2-amino-2-methyltetradecanoic acid
PubChem CID22665190
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-amino-2-methyltetradecanoic acid
SMILESCCCCCCCCCCCCC(C)(N)C(=O)O
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2,16)14(17)18/h3-13,16H2,1-2H3,(H,17,18)
InChIKeyWBEHKXQILJKFIN-UHFFFAOYSA-N
XLogP4.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.10
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 2-amino-2-methyltetradecanoic acid?
The IUPAC name of 2-amino-2-methyltetradecanoic acid (CID 22665190) is 2-amino-2-methyltetradecanoic acid.
What is the SMILES notation for 2-amino-2-methyltetradecanoic acid?
The canonical SMILES for 2-amino-2-methyltetradecanoic acid is CCCCCCCCCCCCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyltetradecanoic acid?
The InChIKey is WBEHKXQILJKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2,16)14(17)18/h3-13,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-methyltetradecanoic acid?
2-amino-2-methyltetradecanoic acid has a molecular weight of 257.42 g/mol, XLogP of 4.10, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyltetradecanoic acid is sourced from PubChem (CID 22665190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).