benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate

C17H19NO3 — CID 853481

IUPACbenzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@H](CO)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m0/s1
InChIKeyWPOFMMJJCPZPAO-INIZCTEOSA-N
MW285.34 g/mol
LogP2.52
Rot. Bonds6

About benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate

benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate (PubChem CID 853481) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
PubChem CID853481
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namebenzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@H](CO)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m0/s1
InChIKeyWPOFMMJJCPZPAO-INIZCTEOSA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate (CID 853481) is benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate is O=C(N[C@H](CO)Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
The InChIKey is WPOFMMJJCPZPAO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 853481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).