tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane

C15H25NO2 — CID 143116605

IUPACtert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
SMILESCC.C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NO2.C2H6/c1-10(11-8-6-5-7-9-11)14-12(15)16-13(2,3)4;1-2/h5-10H,1-4H3,(H,14,15);1-2H3/t10-;/m1./s1
InChIKeyVHPOMJPMOTZGRC-HNCPQSOCSA-N
MW251.37 g/mol
LogP4.30
Rot. Bonds2

About tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane

tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane (PubChem CID 143116605) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
PubChem CID143116605
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
SMILESCC.C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NO2.C2H6/c1-10(11-8-6-5-7-9-11)14-12(15)16-13(2,3)4;1-2/h5-10H,1-4H3,(H,14,15);1-2H3/t10-;/m1./s1
InChIKeyVHPOMJPMOTZGRC-HNCPQSOCSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamate
CID 26791694
tert-butyl N-[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamate
CID 59875757
tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
CID 52987808
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;sulfane
CID 158971973
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
tert-butyl N-[1-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 58393122

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane (CID 143116605) is tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane is CC.C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane?
The InChIKey is VHPOMJPMOTZGRC-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H19NO2.C2H6/c1-10(11-8-6-5-7-9-11)14-12(15)16-13(2,3)4;1-2/h5-10H,1-4H3,(H,14,15);1-2H3/t10-;/m1./s1.
What are the key properties of tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane?
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane has a molecular weight of 251.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane is sourced from PubChem (CID 143116605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).