benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate

C12H16N2O3 — CID 121451593

IUPACbenzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
SMILESN[C@@H]1COC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O3/c13-10-7-16-8-11(10)14-12(15)17-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyUBIIKFDCODRHJB-MNOVXSKESA-N
MW236.27 g/mol
LogP0.64
Rot. Bonds3

About benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate

benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate (PubChem CID 121451593) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
PubChem CID121451593
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namebenzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
SMILESN[C@@H]1COC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O3/c13-10-7-16-8-11(10)14-12(15)17-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyUBIIKFDCODRHJB-MNOVXSKESA-N
XLogP0.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
CID 175653873
benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
CID 133063697
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-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
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-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate (CID 121451593) is benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate is N[C@@H]1COC[C@@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
The InChIKey is UBIIKFDCODRHJB-MNOVXSKESA-N. The full InChI is InChI=1S/C12H16N2O3/c13-10-7-16-8-11(10)14-12(15)17-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate has a molecular weight of 236.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate is sourced from PubChem (CID 121451593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).