2-amino-4-phenylpentanoic acid;hydrochloride

C11H16ClNO2 — CID 70445326

IUPAC2-amino-4-phenylpentanoic acid;hydrochloride
SMILESCC(CC(N)C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8(7-10(12)11(13)14)9-5-3-2-4-6-9;/h2-6,8,10H,7,12H2,1H3,(H,13,14);1H
InChIKeyHADFKFVWCFIZIJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.01
Rot. Bonds4

About 2-amino-4-phenylpentanoic acid;hydrochloride

2-amino-4-phenylpentanoic acid;hydrochloride (PubChem CID 70445326) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-amino-4-phenylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-4-phenylpentanoic acid;hydrochloride
PubChem CID70445326
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-amino-4-phenylpentanoic acid;hydrochloride
SMILESCC(CC(N)C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8(7-10(12)11(13)14)9-5-3-2-4-6-9;/h2-6,8,10H,7,12H2,1H3,(H,13,14);1H
InChIKeyHADFKFVWCFIZIJ-UHFFFAOYSA-N
XLogP2.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride
CID 71757982
2-amino-4-hydroxy-4-phenylbutanoic acid
CID 11997564
3-methyl-5-phenylhexan-2-one
CID 22898138
barium(2+);hydride;2-(2-phenylpropyl)propanedioic acid
CID 174968808
(2S)-2-amino-4-(3,4-dihydroxyphenyl)pentanoic acid
CID 163585625
4-phenyl-2-propan-2-ylpentanoic acid
CID 67132291
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
3-phenylbutane-1,1-diol
CID 18417931
2,4-diamino-4-(4-propan-2-ylphenyl)butanoic acid
CID 116942627
(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
CID 119270188
(2S)-2-amino-4-methyl-6-oxo-6-phenylhexanoic acid
CID 70525182

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylpentanoic acid;hydrochloride?
The IUPAC name of 2-amino-4-phenylpentanoic acid;hydrochloride (CID 70445326) is 2-amino-4-phenylpentanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-4-phenylpentanoic acid;hydrochloride?
The canonical SMILES for 2-amino-4-phenylpentanoic acid;hydrochloride is CC(CC(N)C(=O)O)c1ccccc1.Cl.
What is the InChIKey of 2-amino-4-phenylpentanoic acid;hydrochloride?
The InChIKey is HADFKFVWCFIZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-8(7-10(12)11(13)14)9-5-3-2-4-6-9;/h2-6,8,10H,7,12H2,1H3,(H,13,14);1H.
What are the key properties of 2-amino-4-phenylpentanoic acid;hydrochloride?
2-amino-4-phenylpentanoic acid;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylpentanoic acid;hydrochloride is sourced from PubChem (CID 70445326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).