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

C16H25NO4 — CID 69221436

IUPACtert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H](CO)COCc1ccccc1
InChIInChI=1S/C16H25NO4/c1-16(2,3)21-15(19)17(4)14(10-18)12-20-11-13-8-6-5-7-9-13/h5-9,14,18H,10-12H2,1-4H3/t14-/m1/s1
InChIKeyFYTVRIZLRCLRQO-CQSZACIVSA-N
MW295.38 g/mol
LogP2.43
Rot. Bonds6

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

tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate (PubChem CID 69221436) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate
PubChem CID69221436
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nametert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H](CO)COCc1ccccc1
InChIInChI=1S/C16H25NO4/c1-16(2,3)21-15(19)17(4)14(10-18)12-20-11-13-8-6-5-7-9-13/h5-9,14,18H,10-12H2,1-4H3/t14-/m1/s1
InChIKeyFYTVRIZLRCLRQO-CQSZACIVSA-N
XLogP2.43
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-phenylmethoxypropan-2-yl]-N-methylcarbamate
CID 66622747
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylmethoxybutanoic acid
CID 4623807
tert-butyl (3R)-3-(hydroxymethyl)-4-(phenylmethoxymethoxy)butanoate
CID 10870620
(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 101031219
tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate
CID 71433233
tert-butyl N-[(2S)-4-amino-1-phenylbutan-2-yl]-N-methylcarbamate
CID 59475149
(2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid
CID 11005227
tert-butyl N-benzyl-N-(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamate
CID 71317665
tert-butyl N-methyl-N-[1-(5-oxo-4-propan-2-yloxolan-2-yl)-2-phenylmethoxyethyl]carbamate
CID 69199249
(1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 122703485
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]ethyl]-N-(2-phenylmethoxyethyl)carbamate
CID 140972219

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate (CID 69221436) is tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@H](CO)COCc1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate?
The InChIKey is FYTVRIZLRCLRQO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2,3)21-15(19)17(4)14(10-18)12-20-11-13-8-6-5-7-9-13/h5-9,14,18H,10-12H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate?
tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate has a molecular weight of 295.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 69221436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).