2-amino-2-phenylnonanoic acid;hydrochloride

C15H24ClNO2 — CID 11208398

IUPAC2-amino-2-phenylnonanoic acid;hydrochloride
SMILESCCCCCCCC(N)(C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-2-3-4-5-9-12-15(16,14(17)18)13-10-7-6-8-11-13;/h6-8,10-11H,2-5,9,12,16H2,1H3,(H,17,18);1H
InChIKeyGLTYAGYVMQAWIS-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.71
Rot. Bonds8

About 2-amino-2-phenylnonanoic acid;hydrochloride

2-amino-2-phenylnonanoic acid;hydrochloride (PubChem CID 11208398) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 2-amino-2-phenylnonanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-phenylnonanoic acid;hydrochloride
PubChem CID11208398
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name2-amino-2-phenylnonanoic acid;hydrochloride
SMILESCCCCCCCC(N)(C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-2-3-4-5-9-12-15(16,14(17)18)13-10-7-6-8-11-13;/h6-8,10-11H,2-5,9,12,16H2,1H3,(H,17,18);1H
InChIKeyGLTYAGYVMQAWIS-UHFFFAOYSA-N
XLogP3.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.71
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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Related Compounds

2,5-diamino-2-phenylpentanoic acid;dihydrochloride
CID 17389596
(2S)-2,5-diamino-2-phenylpentanoic acid
CID 7141907
2-nonyl-2-phenylpropanedioic acid
CID 70554602
1,1-diphenyldodecan-1-amine
CID 19925745
2-methyl-2-phenyldecanoic acid
CID 154177551
calcium;hydride;2-octyl-2-phenylpropanedioic acid
CID 174969095
calcium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174967829
2-methyl-2-phenylnonadecanoic acid
CID 140988291
2-phenylicosan-2-amine;hydrochloride
CID 173065845
magnesium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174968694
barium(2+);2-decyl-2-phenylpropanedioic acid;hydride
CID 174968847
1,1-diphenylhexan-1-amine
CID 20568221

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylnonanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-phenylnonanoic acid;hydrochloride (CID 11208398) is 2-amino-2-phenylnonanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-phenylnonanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-phenylnonanoic acid;hydrochloride is CCCCCCCC(N)(C(=O)O)c1ccccc1.Cl.
What is the InChIKey of 2-amino-2-phenylnonanoic acid;hydrochloride?
The InChIKey is GLTYAGYVMQAWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-2-3-4-5-9-12-15(16,14(17)18)13-10-7-6-8-11-13;/h6-8,10-11H,2-5,9,12,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-2-phenylnonanoic acid;hydrochloride?
2-amino-2-phenylnonanoic acid;hydrochloride has a molecular weight of 285.81 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylnonanoic acid;hydrochloride is sourced from PubChem (CID 11208398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).