benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate

C16H23NO4 — CID 169233030

IUPACbenzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate
SMILESO=C(N[C@@H](CO)CC1CCCCO1)OCc1ccccc1
InChIInChI=1S/C16H23NO4/c18-11-14(10-15-8-4-5-9-20-15)17-16(19)21-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,17,19)/t14-,15?/m1/s1
InChIKeyUBBYYKPXSGTWSB-GICMACPYSA-N
MW293.36 g/mol
LogP2.23
Rot. Bonds6

About benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate

benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate (PubChem CID 169233030) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate
PubChem CID169233030
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namebenzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate
SMILESO=C(N[C@@H](CO)CC1CCCCO1)OCc1ccccc1
InChIInChI=1S/C16H23NO4/c18-11-14(10-15-8-4-5-9-20-15)17-16(19)21-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,17,19)/t14-,15?/m1/s1
InChIKeyUBBYYKPXSGTWSB-GICMACPYSA-N
XLogP2.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2R)-1-hydroxy-3-(oxolan-2-yl)propan-2-yl]carbamate
CID 169233311
benzyl N-[1-(1,3-dioxan-2-yl)-3-hydroxypropan-2-yl]carbamate
CID 21242026
benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate
CID 169233060
benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate
CID 170167802
benzyl N-[(2S)-1-[(2R,6S)-2,6-dimethyloxan-4-yl]-3-hydroxypropan-2-yl]carbamate
CID 123257950
(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941294
benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
CID 140568444
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 85273603
benzyl N-[(2S)-3-methyl-1-oxo-1-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]butan-2-yl]carbamate
CID 55934824
benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate
CID 131112682
benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
CID 10380925
benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate
CID 11109408

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate (CID 169233030) is benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate is O=C(N[C@@H](CO)CC1CCCCO1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate?
The InChIKey is UBBYYKPXSGTWSB-GICMACPYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-11-14(10-15-8-4-5-9-20-15)17-16(19)21-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,17,19)/t14-,15?/m1/s1.
What are the key properties of benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate?
benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 169233030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).