benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride

C12H16ClNO4 — CID 133063697

IUPACbenzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
SMILESCl.O=C(NC1COCC1O)OCc1ccccc1
InChIInChI=1S/C12H15NO4.ClH/c14-11-8-16-7-10(11)13-12(15)17-6-9-4-2-1-3-5-9;/h1-5,10-11,14H,6-8H2,(H,13,15);1H
InChIKeyJMEYUEPZGWZNQL-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.09
Rot. Bonds3

About benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride

benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride (PubChem CID 133063697) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
PubChem CID133063697
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Namebenzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
SMILESCl.O=C(NC1COCC1O)OCc1ccccc1
InChIInChI=1S/C12H15NO4.ClH/c14-11-8-16-7-10(11)13-12(15)17-6-9-4-2-1-3-5-9;/h1-5,10-11,14H,6-8H2,(H,13,15);1H
InChIKeyJMEYUEPZGWZNQL-UHFFFAOYSA-N
XLogP1.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
CID 121451593
(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
CID 175653873
benzyl N-[(3R,4R)-4-bromooxolan-3-yl]carbamate
CID 140651017
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[4-(2-bromoacetyl)oxolan-3-yl]carbamate
CID 104701494
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-[(2S,3R)-2-(bromomethyl)oxetan-3-yl]carbamate
CID 86730957

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride?
The IUPAC name of benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride (CID 133063697) is benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride.
What is the SMILES notation for benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride?
The canonical SMILES for benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride is Cl.O=C(NC1COCC1O)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride?
The InChIKey is JMEYUEPZGWZNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4.ClH/c14-11-8-16-7-10(11)13-12(15)17-6-9-4-2-1-3-5-9;/h1-5,10-11,14H,6-8H2,(H,13,15);1H.
What are the key properties of benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride?
benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride is sourced from PubChem (CID 133063697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).