benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate

C14H19NO4 — CID 169233060

IUPACbenzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate
SMILESO=C(N[C@@H](CO)C1CCCO1)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c16-9-12(13-7-4-8-18-13)15-14(17)19-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)/t12-,13?/m0/s1
InChIKeyASFYAYOWWDWQKM-UEWDXFNNSA-N
MW265.31 g/mol
LogP1.45
Rot. Bonds5

About benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate

benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate (PubChem CID 169233060) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate
PubChem CID169233060
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namebenzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate
SMILESO=C(N[C@@H](CO)C1CCCO1)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c16-9-12(13-7-4-8-18-13)15-14(17)19-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)/t12-,13?/m0/s1
InChIKeyASFYAYOWWDWQKM-UEWDXFNNSA-N
XLogP1.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate
CID 131112682
benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate
CID 142383171
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-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate
CID 169233030
benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate
CID 24772932
benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate
CID 142520241
(3S)-3-(oxan-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941288
benzyl N-[(1S)-5-hydroxy-1-[(2S)-oxiran-2-yl]pentyl]carbamate
CID 102391896
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481085

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate (CID 169233060) is benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate is O=C(N[C@@H](CO)C1CCCO1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate?
The InChIKey is ASFYAYOWWDWQKM-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H19NO4/c16-9-12(13-7-4-8-18-13)15-14(17)19-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)/t12-,13?/m0/s1.
What are the key properties of benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate?
benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate is sourced from PubChem (CID 169233060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).