[(2S)-2-(methylamino)-3-phenylpropyl] carbamate

C11H16N2O2 — CID 118340486

IUPAC[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
SMILESCN[C@H](COC(N)=O)Cc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-13-10(8-15-11(12)14)7-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H2,12,14)/t10-/m0/s1
InChIKeyWLXFMGBIFDJQMB-JTQLQIEISA-N
MW208.26 g/mol
LogP0.91
Rot. Bonds5

About [(2S)-2-(methylamino)-3-phenylpropyl] carbamate

[(2S)-2-(methylamino)-3-phenylpropyl] carbamate (PubChem CID 118340486) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [(2S)-2-(methylamino)-3-phenylpropyl] carbamate.

Molecular Properties

Compound Name[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
PubChem CID118340486
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
SMILESCN[C@H](COC(N)=O)Cc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-13-10(8-15-11(12)14)7-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H2,12,14)/t10-/m0/s1
InChIKeyWLXFMGBIFDJQMB-JTQLQIEISA-N
XLogP0.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-acetamido-3-phenylpropyl] carbamate
CID 138394001
[2-(carbamoylamino)-3-phenylpropyl] carbamate
CID 155892632
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
(2-benzyl-3-methylbutyl) carbamate
CID 67758924
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
CID 105084518
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
2-(1-phenylbutan-2-ylamino)ethyl carbamate
CID 83212188
nitroso (2S)-2-(methylamino)-3-phenylpropanoate;hydrochloride
CID 174857329
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
(3-bromo-4-phenylbutyl) carbamate
CID 174694654

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methylamino)-3-phenylpropyl] carbamate?
The IUPAC name of [(2S)-2-(methylamino)-3-phenylpropyl] carbamate (CID 118340486) is [(2S)-2-(methylamino)-3-phenylpropyl] carbamate.
What is the SMILES notation for [(2S)-2-(methylamino)-3-phenylpropyl] carbamate?
The canonical SMILES for [(2S)-2-(methylamino)-3-phenylpropyl] carbamate is CN[C@H](COC(N)=O)Cc1ccccc1.
What is the InChIKey of [(2S)-2-(methylamino)-3-phenylpropyl] carbamate?
The InChIKey is WLXFMGBIFDJQMB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-10(8-15-11(12)14)7-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H2,12,14)/t10-/m0/s1.
What are the key properties of [(2S)-2-(methylamino)-3-phenylpropyl] carbamate?
[(2S)-2-(methylamino)-3-phenylpropyl] carbamate has a molecular weight of 208.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methylamino)-3-phenylpropyl] carbamate is sourced from PubChem (CID 118340486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).