methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane

C15H32N2O4 — CID 156804048

IUPACmethanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane
SMILESCC(C)=CNC1CCC(COC(=O)CN)O1.CCC.CO
InChIInChI=1S/C11H20N2O3.C3H8.CH4O/c1-8(2)6-13-10-4-3-9(16-10)7-15-11(14)5-12;1-3-2;1-2/h6,9-10,13H,3-5,7,12H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyGZWUHIHMLYFWOS-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.53
Rot. Bonds5

About methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane

methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane (PubChem CID 156804048) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane.

Molecular Properties

Compound Namemethanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane
PubChem CID156804048
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Namemethanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane
SMILESCC(C)=CNC1CCC(COC(=O)CN)O1.CCC.CO
InChIInChI=1S/C11H20N2O3.C3H8.CH4O/c1-8(2)6-13-10-4-3-9(16-10)7-15-11(14)5-12;1-3-2;1-2/h6,9-10,13H,3-5,7,12H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyGZWUHIHMLYFWOS-UHFFFAOYSA-N
XLogP1.53
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(methoxymethyl)oxolan-2-yl]methyl 3-oxobutanoate
CID 170416752
[5-[formyl-[(Z)-2-(hydroxymethyl)-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 2-aminoacetate;methanol;propane
CID 156804024
[5-(methoxymethyl)oxolan-2-yl]methyl 3-methylbut-3-enoate
CID 163958546
[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
CID 118169205
formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane
CID 166530805
(5-butanoyloxyoxolan-2-yl)methyl butanoate
CID 144971535
[(2S,5S)-5-(iodomethyl)oxolan-2-yl]methyl pentanoate
CID 118183523
3-[5-(acetyloxymethyl)oxolan-2-yl]prop-2-enoic acid
CID 175935617
[(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate
CID 146511222
[(5R)-5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate
CID 171528670
[5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate
CID 156804245
[(2S)-5-(acetyloxyamino)oxolan-2-yl]methyl benzoate
CID 137453027

Frequently Asked Questions

What is the IUPAC name of methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane?
The IUPAC name of methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane (CID 156804048) is methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane.
What is the SMILES notation for methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane?
The canonical SMILES for methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane is CC(C)=CNC1CCC(COC(=O)CN)O1.CCC.CO.
What is the InChIKey of methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane?
The InChIKey is GZWUHIHMLYFWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.C3H8.CH4O/c1-8(2)6-13-10-4-3-9(16-10)7-15-11(14)5-12;1-3-2;1-2/h6,9-10,13H,3-5,7,12H2,1-2H3;3H2,1-2H3;2H,1H3.
What are the key properties of methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane?
methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane has a molecular weight of 304.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;[5-(2-methylprop-1-enylamino)oxolan-2-yl]methyl 2-aminoacetate;propane is sourced from PubChem (CID 156804048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).