benzyl (2R)-2,3-diamino-3-phenylpropanoate

C16H18N2O2 — CID 18653737

IUPACbenzyl (2R)-2,3-diamino-3-phenylpropanoate
SMILESNC(c1ccccc1)[C@@H](N)C(=O)OCc1ccccc1
InChIInChI=1S/C16H18N2O2/c17-14(13-9-5-2-6-10-13)15(18)16(19)20-11-12-7-3-1-4-8-12/h1-10,14-15H,11,17-18H2/t14?,15-/m1/s1
InChIKeyITPPPQHAUMSCBR-YSSOQSIOSA-N
MW270.33 g/mol
LogP1.76
Rot. Bonds5

About benzyl (2R)-2,3-diamino-3-phenylpropanoate

benzyl (2R)-2,3-diamino-3-phenylpropanoate (PubChem CID 18653737) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is benzyl (2R)-2,3-diamino-3-phenylpropanoate.

Molecular Properties

Compound Namebenzyl (2R)-2,3-diamino-3-phenylpropanoate
PubChem CID18653737
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namebenzyl (2R)-2,3-diamino-3-phenylpropanoate
SMILESNC(c1ccccc1)[C@@H](N)C(=O)OCc1ccccc1
InChIInChI=1S/C16H18N2O2/c17-14(13-9-5-2-6-10-13)15(18)16(19)20-11-12-7-3-1-4-8-12/h1-10,14-15H,11,17-18H2/t14?,15-/m1/s1
InChIKeyITPPPQHAUMSCBR-YSSOQSIOSA-N
XLogP1.76
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-amino-3-methylpentanoate;hydrochloride
CID 14074460
benzyl 3-amino-3-phenyl-2-(sulfamoylmethyl)propanoate
CID 174669544
benzyl 4-amino-3,4-diphenylbutanoate
CID 15355049
benzyl 2-amino-3,5-dimethylhexanoate
CID 174483486
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
benzyl (2S)-2-amino-3-ethylpentanoate
CID 139415997
benzyl 2-amino-2-hydroxyacetate
CID 123342440
dibenzyl 2-amino-3-hydroxypentanedioate
CID 150974929
benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
CID 7019780
benzyl 2-amino-3-hydroxypentanoate
CID 68991672
benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
CID 139989757

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2,3-diamino-3-phenylpropanoate?
The IUPAC name of benzyl (2R)-2,3-diamino-3-phenylpropanoate (CID 18653737) is benzyl (2R)-2,3-diamino-3-phenylpropanoate.
What is the SMILES notation for benzyl (2R)-2,3-diamino-3-phenylpropanoate?
The canonical SMILES for benzyl (2R)-2,3-diamino-3-phenylpropanoate is NC(c1ccccc1)[C@@H](N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2,3-diamino-3-phenylpropanoate?
The InChIKey is ITPPPQHAUMSCBR-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-14(13-9-5-2-6-10-13)15(18)16(19)20-11-12-7-3-1-4-8-12/h1-10,14-15H,11,17-18H2/t14?,15-/m1/s1.
What are the key properties of benzyl (2R)-2,3-diamino-3-phenylpropanoate?
benzyl (2R)-2,3-diamino-3-phenylpropanoate has a molecular weight of 270.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2,3-diamino-3-phenylpropanoate is sourced from PubChem (CID 18653737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).