benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate

C18H21NO3 — CID 7019780

IUPACbenzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
SMILESC[C@H](OCc1ccccc1)[C@@H](N)C(=O)OCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-14(21-12-15-8-4-2-5-9-15)17(19)18(20)22-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13,19H2,1H3/t14-,17+/m0/s1
InChIKeyJFGFSGAITLXWHG-WMLDXEAASA-N
MW299.37 g/mol
LogP2.66
Rot. Bonds7

About benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate

benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate (PubChem CID 7019780) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate.

Molecular Properties

Compound Namebenzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
PubChem CID7019780
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namebenzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
SMILESC[C@H](OCc1ccccc1)[C@@H](N)C(=O)OCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-14(21-12-15-8-4-2-5-9-15)17(19)18(20)22-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13,19H2,1H3/t14-,17+/m0/s1
InChIKeyJFGFSGAITLXWHG-WMLDXEAASA-N
XLogP2.66
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-phenylmethoxybutanoic acid;hydrochloride
CID 53434211
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
benzyl (2S)-2-aminopropanoate
CID 726858
(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
CID 10799879
benzyl (2S)-2-amino-3-methylpentanoate;hydrochloride
CID 14074460
acetic acid;(3R)-3-amino-2-methyl-4-oxo-4-phenylmethoxybutanoic acid
CID 67782455
benzyl 2-amino-3,5-dimethylhexanoate
CID 174483486
benzyl (2S)-2-amino-3-ethylpentanoate
CID 139415997
3-amino-2-phenylmethoxyoct-7-en-4-one
CID 165464919
benzyl 3-hydroxy-2-methyl-3-phenylmethoxypropanoate
CID 167055654
benzyl 2-amino-3-hydroxypentanoate
CID 68991672
[(2S)-2-amino-3-phenylmethoxybutyl] carbamate
CID 90463692

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate?
The IUPAC name of benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate (CID 7019780) is benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate.
What is the SMILES notation for benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate?
The canonical SMILES for benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate is C[C@H](OCc1ccccc1)[C@@H](N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate?
The InChIKey is JFGFSGAITLXWHG-WMLDXEAASA-N. The full InChI is InChI=1S/C18H21NO3/c1-14(21-12-15-8-4-2-5-9-15)17(19)18(20)22-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13,19H2,1H3/t14-,17+/m0/s1.
What are the key properties of benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate?
benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate has a molecular weight of 299.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate is sourced from PubChem (CID 7019780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).