tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate

C14H21NO3 — CID 10586857

IUPACtert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
SMILESC[C@H](COc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-11(15-13(16)18-14(2,3)4)10-17-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyLYLNMSLKYXSRDR-LLVKDONJSA-N
MW251.33 g/mol
LogP2.98
Rot. Bonds4

About tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate

tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate (PubChem CID 10586857) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
PubChem CID10586857
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
SMILESC[C@H](COc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-11(15-13(16)18-14(2,3)4)10-17-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyLYLNMSLKYXSRDR-LLVKDONJSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenoxypropanoate
CID 118862902
tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[(2R)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate
CID 123965004
tert-butyl (2S)-2-amino-3-phenoxypropanoate
CID 163342114
tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate
CID 10880575
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate
CID 11759173
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenoxypentanoic acid
CID 10086647
[(2S,3R)-3-benzyl-4-phenoxybutan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 121455356

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate (CID 10586857) is tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate is C[C@H](COc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate?
The InChIKey is LYLNMSLKYXSRDR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(15-13(16)18-14(2,3)4)10-17-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate is sourced from PubChem (CID 10586857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).