3-amino-5-phenylpentanoic acid

C11H15NO2 — CID 2733736

IUPAC3-amino-5-phenylpentanoic acid
SMILESNC(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C11H15NO2/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,14)
InChIKeyCJJYCYZKUNRKFP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.42
Rot. Bonds5

About 3-amino-5-phenylpentanoic acid

3-amino-5-phenylpentanoic acid (PubChem CID 2733736) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-amino-5-phenylpentanoic acid.

Molecular Properties

Compound Name3-amino-5-phenylpentanoic acid
PubChem CID2733736
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-amino-5-phenylpentanoic acid
SMILESNC(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C11H15NO2/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,14)
InChIKeyCJJYCYZKUNRKFP-UHFFFAOYSA-N
XLogP1.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenylpentanoic acid?
The IUPAC name of 3-amino-5-phenylpentanoic acid (CID 2733736) is 3-amino-5-phenylpentanoic acid.
What is the SMILES notation for 3-amino-5-phenylpentanoic acid?
The canonical SMILES for 3-amino-5-phenylpentanoic acid is NC(CCc1ccccc1)CC(=O)O.
What is the InChIKey of 3-amino-5-phenylpentanoic acid?
The InChIKey is CJJYCYZKUNRKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,14).
What are the key properties of 3-amino-5-phenylpentanoic acid?
3-amino-5-phenylpentanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenylpentanoic acid is sourced from PubChem (CID 2733736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).