2-amino-2-phenylheptanoic acid

C13H19NO2 — CID 11207619

IUPAC2-amino-2-phenylheptanoic acid
SMILESCCCCCC(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-7-10-13(14,12(15)16)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10,14H2,1H3,(H,15,16)
InChIKeyLOQIWYHSGOTTAK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.51
Rot. Bonds6

About 2-amino-2-phenylheptanoic acid

2-amino-2-phenylheptanoic acid (PubChem CID 11207619) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-2-phenylheptanoic acid.

Molecular Properties

Compound Name2-amino-2-phenylheptanoic acid
PubChem CID11207619
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-2-phenylheptanoic acid
SMILESCCCCCC(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-7-10-13(14,12(15)16)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10,14H2,1H3,(H,15,16)
InChIKeyLOQIWYHSGOTTAK-UHFFFAOYSA-N
XLogP2.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.51
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-phenylheptanoic acid?
The IUPAC name of 2-amino-2-phenylheptanoic acid (CID 11207619) is 2-amino-2-phenylheptanoic acid.
What is the SMILES notation for 2-amino-2-phenylheptanoic acid?
The canonical SMILES for 2-amino-2-phenylheptanoic acid is CCCCCC(N)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-amino-2-phenylheptanoic acid?
The InChIKey is LOQIWYHSGOTTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-7-10-13(14,12(15)16)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-phenylheptanoic acid?
2-amino-2-phenylheptanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylheptanoic acid is sourced from PubChem (CID 11207619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).