methyl N-[(1S)-1-phenylethyl]carbamate

C10H13NO2 — CID 10726034

IUPACmethyl N-[(1S)-1-phenylethyl]carbamate
SMILESCOC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(11-10(12)13-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyTZZODVDYZTUJLN-QMMMGPOBSA-N
MW179.22 g/mol
LogP2.10
Rot. Bonds2

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

methyl N-[(1S)-1-phenylethyl]carbamate (PubChem CID 10726034) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl N-[(1S)-1-phenylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S)-1-phenylethyl]carbamate
PubChem CID10726034
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl N-[(1S)-1-phenylethyl]carbamate
SMILESCOC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(11-10(12)13-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyTZZODVDYZTUJLN-QMMMGPOBSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S)-1-phenylethyl]carbamate?
The IUPAC name of methyl N-[(1S)-1-phenylethyl]carbamate (CID 10726034) is methyl N-[(1S)-1-phenylethyl]carbamate.
What is the SMILES notation for methyl N-[(1S)-1-phenylethyl]carbamate?
The canonical SMILES for methyl N-[(1S)-1-phenylethyl]carbamate is COC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of methyl N-[(1S)-1-phenylethyl]carbamate?
The InChIKey is TZZODVDYZTUJLN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(11-10(12)13-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of methyl N-[(1S)-1-phenylethyl]carbamate?
methyl N-[(1S)-1-phenylethyl]carbamate has a molecular weight of 179.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S)-1-phenylethyl]carbamate is sourced from PubChem (CID 10726034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).