benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate

C22H22N2O2 — CID 139989757

IUPACbenzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
SMILESN[C@@H](c1ccccc1)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c23-20(18-12-6-2-7-13-18)21(19-14-8-3-9-15-19)24-22(25)26-16-17-10-4-1-5-11-17/h1-15,20-21H,16,23H2,(H,24,25)/t20-,21-/m0/s1
InChIKeyGYEGAELRBVFZJM-SFTDATJTSA-N
MW346.43 g/mol
LogP4.35
Rot. Bonds6

About benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate

benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate (PubChem CID 139989757) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
PubChem CID139989757
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Namebenzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
SMILESN[C@@H](c1ccccc1)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c23-20(18-12-6-2-7-13-18)21(19-14-8-3-9-15-19)24-22(25)26-16-17-10-4-1-5-11-17/h1-15,20-21H,16,23H2,(H,24,25)/t20-,21-/m0/s1
InChIKeyGYEGAELRBVFZJM-SFTDATJTSA-N
XLogP4.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 25136290
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 15839659
methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15837581
methyl (3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 22865507
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050
benzyl N-(1-aminobutyl)carbamate
CID 3840640
benzyl (2R)-2,3-diamino-3-phenylpropanoate
CID 18653737
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate?
The IUPAC name of benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate (CID 139989757) is benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate?
The canonical SMILES for benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate is N[C@@H](c1ccccc1)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate?
The InChIKey is GYEGAELRBVFZJM-SFTDATJTSA-N. The full InChI is InChI=1S/C22H22N2O2/c23-20(18-12-6-2-7-13-18)21(19-14-8-3-9-15-19)24-22(25)26-16-17-10-4-1-5-11-17/h1-15,20-21H,16,23H2,(H,24,25)/t20-,21-/m0/s1.
What are the key properties of benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate?
benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate is sourced from PubChem (CID 139989757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).