(2R)-2-amino-4-phenylmethoxybutanoic acid

C11H15NO3 — CID 51340689

IUPAC(2R)-2-amino-4-phenylmethoxybutanoic acid
SMILESN[C@H](CCOCc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO3/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,14)/t10-/m1/s1
InChIKeyQTPSXPIAJFBGLO-SNVBAGLBSA-N
MW209.25 g/mol
LogP1.01
Rot. Bonds6

About (2R)-2-amino-4-phenylmethoxybutanoic acid

(2R)-2-amino-4-phenylmethoxybutanoic acid (PubChem CID 51340689) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2R)-2-amino-4-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-phenylmethoxybutanoic acid
PubChem CID51340689
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2R)-2-amino-4-phenylmethoxybutanoic acid
SMILESN[C@H](CCOCc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO3/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,14)/t10-/m1/s1
InChIKeyQTPSXPIAJFBGLO-SNVBAGLBSA-N
XLogP1.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-phenylmethoxyhexanoic acid;2,4-diaminobutanoic acid;ethane
CID 145152386
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(2S)-2-amino-4-methylpentanoic acid;phenylmethoxymethylbenzene
CID 70097248
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
CID 70487944
1-fluoro-4-phenylmethoxybutan-2-amine
CID 172858311
(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate
CID 67874309
2-amino-4-hydroxy-4-phenylmethoxybutanoic acid
CID 130311408
ethyl 4-[(2S)-2-amino-4-phenylmethoxybutanoyl]piperazine-1-carboxylate
CID 66856329
methyl 2-chloro-4-phenylmethoxybutanoate
CID 121009270

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-phenylmethoxybutanoic acid?
The IUPAC name of (2R)-2-amino-4-phenylmethoxybutanoic acid (CID 51340689) is (2R)-2-amino-4-phenylmethoxybutanoic acid.
What is the SMILES notation for (2R)-2-amino-4-phenylmethoxybutanoic acid?
The canonical SMILES for (2R)-2-amino-4-phenylmethoxybutanoic acid is N[C@H](CCOCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-phenylmethoxybutanoic acid?
The InChIKey is QTPSXPIAJFBGLO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO3/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-phenylmethoxybutanoic acid?
(2R)-2-amino-4-phenylmethoxybutanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-phenylmethoxybutanoic acid is sourced from PubChem (CID 51340689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).