benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride

C11H16ClNO3 — CID 119032008

IUPACbenzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
SMILESC[C@H](O)[C@H](N)C(=O)OCc1ccccc1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9;/h2-6,8,10,13H,7,12H2,1H3;1H/t8-,10-;/m0./s1
InChIKeyIDZGTFSDZJVMSD-GNAZCLTHSA-N
MW245.71 g/mol
LogP0.86
Rot. Bonds4

About benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride

benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride (PubChem CID 119032008) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride.

Molecular Properties

Compound Namebenzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
PubChem CID119032008
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Namebenzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
SMILESC[C@H](O)[C@H](N)C(=O)OCc1ccccc1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9;/h2-6,8,10,13H,7,12H2,1H3;1H/t8-,10-;/m0./s1
InChIKeyIDZGTFSDZJVMSD-GNAZCLTHSA-N
XLogP0.86
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-amino-3-methylpentanoate;hydrochloride
CID 14074460
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl 2-amino-3-hydroxypentanoate
CID 68991672
benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
CID 7019780
acetic acid;(3R)-3-amino-2-methyl-4-oxo-4-phenylmethoxybutanoic acid
CID 67782455
benzyl 2-amino-3,5-dimethylhexanoate
CID 174483486
(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate
CID 65127127
benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl (2S)-2-amino-3-ethylpentanoate
CID 139415997
(1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate
CID 59575428

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride?
The IUPAC name of benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride (CID 119032008) is benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride.
What is the SMILES notation for benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride?
The canonical SMILES for benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride is C[C@H](O)[C@H](N)C(=O)OCc1ccccc1.Cl.
What is the InChIKey of benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride?
The InChIKey is IDZGTFSDZJVMSD-GNAZCLTHSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9;/h2-6,8,10,13H,7,12H2,1H3;1H/t8-,10-;/m0./s1.
What are the key properties of benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride?
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride is sourced from PubChem (CID 119032008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).