ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate

C10H19NO4 — CID 114951750

IUPACethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C10H19NO4/c1-3-15-9(12)11(2)8-10(13)4-6-14-7-5-10/h13H,3-8H2,1-2H3
InChIKeyIOSJIHUMDKQYEM-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.62
Rot. Bonds3

About ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate

ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate (PubChem CID 114951750) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
PubChem CID114951750
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C10H19NO4/c1-3-15-9(12)11(2)8-10(13)4-6-14-7-5-10/h13H,3-8H2,1-2H3
InChIKeyIOSJIHUMDKQYEM-UHFFFAOYSA-N
XLogP0.62
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 113655015
Tert-butyl 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate
CID 15481060
4-[(Dimethylamino)methyl]oxan-4-ol
CID 15567028
1-Tert-butoxycarbonyl-4-(3-hydroxypropoxymethyl)piperidine
CID 18423452
Tert-butyl 4-(hydroxymethyl)-3-methoxypiperidine-1-carboxylate
CID 18695932
[(3R,4S)-1-Boc-3-methoxy-4-piperidyl]methanol
CID 21969897
trans-tert-Butyl 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate
CID 54360080
tert-butyl N-methyl-N-(4-tetrahydropyranylmethyl)carbamate
CID 57982626
cis-Tert-butyl 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate
CID 67372466
tert-butyl (3R,4S)-4-(acetyloxymethyl)-3-hydroxypiperidine-1-carboxylate
CID 67387620
Tert-butyl 4-(acetyloxymethyl)-3-hydroxypiperidine-1-carboxylate
CID 67387621
tert-butyl N-[(3S,4S)-4-hydroxyoxan-3-yl]-N-methylcarbamate
CID 67388638

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate (CID 114951750) is ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate is CCOC(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate?
The InChIKey is IOSJIHUMDKQYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-15-9(12)11(2)8-10(13)4-6-14-7-5-10/h13H,3-8H2,1-2H3.
What are the key properties of ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate?
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate has a molecular weight of 217.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 114951750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).