[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate

C15H23NO4 — CID 175101477

IUPAC[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](CO)COCc1ccccc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)16-14(18)20-13(9-17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyOKJWGDQPMNQGFC-CYBMUJFWSA-N
MW281.35 g/mol
LogP2.09
Rot. Bonds6

About [(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate

[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate (PubChem CID 175101477) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is [(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
PubChem CID175101477
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](CO)COCc1ccccc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)16-14(18)20-13(9-17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyOKJWGDQPMNQGFC-CYBMUJFWSA-N
XLogP2.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175245404
tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate
CID 86645501
[(2S)-1-(2-aminoanilino)-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175480757
1-phenylmethoxybutan-2-yl N-benzylcarbamate
CID 101250617
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate
CID 90840160
(1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate
CID 174398090
1,3-bis(phenylmethoxy)propan-2-yl propanoate
CID 172575065
[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 174666378
2-(3-phenylmethoxypropoxy)ethyl N-tert-butylcarbamate
CID 91455636
3,3-dimethyl-2-(phenylmethoxymethyl)butan-1-ol;methanesulfonic acid
CID 71342429
[(2R)-1-bromo-3-phenylmethoxypropan-2-yl] acetate
CID 118705262

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate (CID 175101477) is [(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H](CO)COCc1ccccc1.
What is the InChIKey of [(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate?
The InChIKey is OKJWGDQPMNQGFC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)16-14(18)20-13(9-17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)/t13-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate?
[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate has a molecular weight of 281.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175101477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).