ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate

C10H19NO5 — CID 13115571

IUPACethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1[C@H](OC)OCC[C@H]1OC
InChIInChI=1S/C10H19NO5/c1-4-15-10(12)11-8-7(13-2)5-6-16-9(8)14-3/h7-9H,4-6H2,1-3H3,(H,11,12)/t7-,8+,9-/m1/s1
InChIKeyINHOGFJULBBPAM-HRDYMLBCSA-N
MW233.26 g/mol
LogP0.51
Rot. Bonds4

About ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate

ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate (PubChem CID 13115571) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate
PubChem CID13115571
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Nameethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1[C@H](OC)OCC[C@H]1OC
InChIInChI=1S/C10H19NO5/c1-4-15-10(12)11-8-7(13-2)5-6-16-9(8)14-3/h7-9H,4-6H2,1-3H3,(H,11,12)/t7-,8+,9-/m1/s1
InChIKeyINHOGFJULBBPAM-HRDYMLBCSA-N
XLogP0.51
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(2-methyloxan-4-yl)carbamate
CID 103889471
ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate
CID 45094642
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
ethyl N-(2-aminocyclopentyl)carbamate
CID 63251751
ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130751480
ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate
CID 94183634
ethyl N-[(1S,2S,3S,4R)-3-formyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 91390552
ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 23543652
ethyl N-(1,3-dioxan-5-yl)carbamate
CID 67075992
ethyl N-[3-(hydroxymethyl)-2-bicyclo[2.2.2]oct-5-enyl]carbamate
CID 12792764
(2S,3S)-2-methoxyoxolane-3-carboxylic acid
CID 97303923
ethyl N-(thian-4-yl)carbamate
CID 115599837

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate?
The IUPAC name of ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate (CID 13115571) is ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate?
The canonical SMILES for ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate is CCOC(=O)N[C@@H]1[C@H](OC)OCC[C@H]1OC.
What is the InChIKey of ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate?
The InChIKey is INHOGFJULBBPAM-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H19NO5/c1-4-15-10(12)11-8-7(13-2)5-6-16-9(8)14-3/h7-9H,4-6H2,1-3H3,(H,11,12)/t7-,8+,9-/m1/s1.
What are the key properties of ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate?
ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate has a molecular weight of 233.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2R,3S,4R)-2,4-dimethoxyoxan-3-yl]carbamate is sourced from PubChem (CID 13115571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).