methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate

C11H19NO4 — CID 55208335

IUPACmethyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CCOC1
InChIInChI=1S/C11H19NO4/c1-3-5-12(7-10(13)15-2)11(14)9-4-6-16-8-9/h9H,3-8H2,1-2H3
InChIKeyIOYGLSPRLICROH-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.43
Rot. Bonds5

About methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate

methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate (PubChem CID 55208335) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
PubChem CID55208335
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CCOC1
InChIInChI=1S/C11H19NO4/c1-3-5-12(7-10(13)15-2)11(14)9-4-6-16-8-9/h9H,3-8H2,1-2H3
InChIKeyIOYGLSPRLICROH-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195
methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate
CID 47981255
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
methyl 2-[oxan-4-yl(propyl)amino]acetate
CID 63937297
(3R)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496982
(3S)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496983
methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
CID 80970947
2-(dipropylamino)-1-(oxolan-3-yl)ethanone
CID 104749952
N-(2-hydroxyethyl)-N-propyloxane-4-carboxamide
CID 60670853
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277

Frequently Asked Questions

What is the IUPAC name of methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate (CID 55208335) is methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate is CCCN(CC(=O)OC)C(=O)C1CCOC1.
What is the InChIKey of methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate?
The InChIKey is IOYGLSPRLICROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-5-12(7-10(13)15-2)11(14)9-4-6-16-8-9/h9H,3-8H2,1-2H3.
What are the key properties of methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate?
methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate has a molecular weight of 229.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate is sourced from PubChem (CID 55208335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).