benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate

C16H18N2O2 — CID 11011061

IUPACbenzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
SMILESNC[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c17-11-15(14-9-5-2-6-10-14)18-16(19)20-12-13-7-3-1-4-8-13/h1-10,15H,11-12,17H2,(H,18,19)/t15-/m0/s1
InChIKeyKJUKXDDEPPBPSY-HNNXBMFYSA-N
MW270.33 g/mol
LogP2.61
Rot. Bonds5

About benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate

benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate (PubChem CID 11011061) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
PubChem CID11011061
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namebenzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
SMILESNC[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c17-11-15(14-9-5-2-6-10-14)18-16(19)20-12-13-7-3-1-4-8-13/h1-10,15H,11-12,17H2,(H,18,19)/t15-/m0/s1
InChIKeyKJUKXDDEPPBPSY-HNNXBMFYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
benzyl N-(4-chloro-3-oxo-1-phenylbutyl)carbamate;1,3-dichloropropan-2-one
CID 157156097
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium
CID 172826308
[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl] methanesulfonate
CID 142462159
benzyl N-(1-aminobutan-2-yl)carbamate;hydrochloride
CID 45072684
benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate
CID 130155607
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050
benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate
CID 11689462
benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
CID 139989757

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate (CID 11011061) is benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate is NC[C@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate?
The InChIKey is KJUKXDDEPPBPSY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-11-15(14-9-5-2-6-10-14)18-16(19)20-12-13-7-3-1-4-8-13/h1-10,15H,11-12,17H2,(H,18,19)/t15-/m0/s1.
What are the key properties of benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate?
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate is sourced from PubChem (CID 11011061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).