[(1S)-1-phenylethyl] carbamate

C9H11NO2 — CID 67918357

IUPAC[(1S)-1-phenylethyl] carbamate
SMILESC[C@H](OC(N)=O)c1ccccc1
InChIInChI=1S/C9H11NO2/c1-7(12-9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,11)/t7-/m0/s1
InChIKeyHLRAZPBRONOBEX-ZETCQYMHSA-N
MW165.19 g/mol
LogP1.84
Rot. Bonds2

About [(1S)-1-phenylethyl] carbamate

[(1S)-1-phenylethyl] carbamate (PubChem CID 67918357) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] carbamate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] carbamate
PubChem CID67918357
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name[(1S)-1-phenylethyl] carbamate
SMILESC[C@H](OC(N)=O)c1ccccc1
InChIInChI=1S/C9H11NO2/c1-7(12-9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,11)/t7-/m0/s1
InChIKeyHLRAZPBRONOBEX-ZETCQYMHSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl] carbamate?
The IUPAC name of [(1S)-1-phenylethyl] carbamate (CID 67918357) is [(1S)-1-phenylethyl] carbamate.
What is the SMILES notation for [(1S)-1-phenylethyl] carbamate?
The canonical SMILES for [(1S)-1-phenylethyl] carbamate is C[C@H](OC(N)=O)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] carbamate?
The InChIKey is HLRAZPBRONOBEX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(12-9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,11)/t7-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] carbamate?
[(1S)-1-phenylethyl] carbamate has a molecular weight of 165.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] carbamate is sourced from PubChem (CID 67918357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).