2-amino-3-phenylmethoxybutanoic acid;hydrochloride

C11H16ClNO3 — CID 53434211

IUPAC2-amino-3-phenylmethoxybutanoic acid;hydrochloride
SMILESCC(OCc1ccccc1)C(N)C(=O)O.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9;/h2-6,8,10H,7,12H2,1H3,(H,13,14);1H
InChIKeyXECHCUXLJZQHOJ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.43
Rot. Bonds5

About 2-amino-3-phenylmethoxybutanoic acid;hydrochloride

2-amino-3-phenylmethoxybutanoic acid;hydrochloride (PubChem CID 53434211) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-amino-3-phenylmethoxybutanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-phenylmethoxybutanoic acid;hydrochloride
PubChem CID53434211
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-amino-3-phenylmethoxybutanoic acid;hydrochloride
SMILESCC(OCc1ccccc1)C(N)C(=O)O.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9;/h2-6,8,10H,7,12H2,1H3,(H,13,14);1H
InChIKeyXECHCUXLJZQHOJ-UHFFFAOYSA-N
XLogP1.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
CID 7019780
(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
CID 10799879
(2R,4S)-2,3-dimethyl-4-phenylmethoxypentanoic acid
CID 134864943
3-amino-2-phenylmethoxyoct-7-en-4-one
CID 165464919
(2-amino-3-phenylmethoxybutyl) carbamate
CID 58079589
[(2S)-2-amino-3-phenylmethoxybutyl] carbamate
CID 90463692
(2S,3R)-2-amino-1-(4,4-difluoropiperidin-1-yl)-3-phenylmethoxybutan-1-one
CID 164604922
2-amino-3-phenylmethoxybutan-1-ol;methane
CID 162219428
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
benzyl (2S)-2-amino-3-methylpentanoate;hydrochloride
CID 14074460

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylmethoxybutanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-phenylmethoxybutanoic acid;hydrochloride (CID 53434211) is 2-amino-3-phenylmethoxybutanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-phenylmethoxybutanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-phenylmethoxybutanoic acid;hydrochloride is CC(OCc1ccccc1)C(N)C(=O)O.Cl.
What is the InChIKey of 2-amino-3-phenylmethoxybutanoic acid;hydrochloride?
The InChIKey is XECHCUXLJZQHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9;/h2-6,8,10H,7,12H2,1H3,(H,13,14);1H.
What are the key properties of 2-amino-3-phenylmethoxybutanoic acid;hydrochloride?
2-amino-3-phenylmethoxybutanoic acid;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylmethoxybutanoic acid;hydrochloride is sourced from PubChem (CID 53434211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).