methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate

C12H21NO4 — CID 80970947

IUPACmethyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CCC(C)O1
InChIInChI=1S/C12H21NO4/c1-4-7-13(8-11(14)16-3)12(15)10-6-5-9(2)17-10/h9-10H,4-8H2,1-3H3
InChIKeyJMAZMQKBOZRLIJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds5

About methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate

methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate (PubChem CID 80970947) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
PubChem CID80970947
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CCC(C)O1
InChIInChI=1S/C12H21NO4/c1-4-7-13(8-11(14)16-3)12(15)10-6-5-9(2)17-10/h9-10H,4-8H2,1-3H3
InChIKeyJMAZMQKBOZRLIJ-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide
CID 81326683
methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195
5-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)oxolane-2-carboxamide
CID 106610382
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate
CID 65160300
cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378256
methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
CID 55208335
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
methyl 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-propylamino]acetate
CID 102628522
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate (CID 80970947) is methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)C1CCC(C)O1.
What is the InChIKey of methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate?
The InChIKey is JMAZMQKBOZRLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-4-7-13(8-11(14)16-3)12(15)10-6-5-9(2)17-10/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate?
methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate is sourced from PubChem (CID 80970947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).