benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate

C16H17NO3 — CID 11369277

IUPACbenzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
SMILESO=C(NC[C@@H](O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H17NO3/c18-15(14-9-5-2-6-10-14)11-17-16(19)20-12-13-7-3-1-4-8-13/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m1/s1
InChIKeyWTENFXZSJDYZAV-OAHLLOKOSA-N
MW271.32 g/mol
LogP2.65
Rot. Bonds5

About benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate

benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate (PubChem CID 11369277) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
PubChem CID11369277
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namebenzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
SMILESO=C(NC[C@@H](O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H17NO3/c18-15(14-9-5-2-6-10-14)11-17-16(19)20-12-13-7-3-1-4-8-13/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m1/s1
InChIKeyWTENFXZSJDYZAV-OAHLLOKOSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate (CID 11369277) is benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate is O=C(NC[C@@H](O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate?
The InChIKey is WTENFXZSJDYZAV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15(14-9-5-2-6-10-14)11-17-16(19)20-12-13-7-3-1-4-8-13/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m1/s1.
What are the key properties of benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate?
benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate has a molecular weight of 271.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate is sourced from PubChem (CID 11369277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).