methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate

C12H21NO4 — CID 55048142

IUPACmethyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCCCO1)C(C)C
InChIInChI=1S/C12H21NO4/c1-9(2)13(8-11(14)16-3)12(15)10-6-4-5-7-17-10/h9-10H,4-8H2,1-3H3
InChIKeyJNQGEZQMGNBQDZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds4

About methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate

methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate (PubChem CID 55048142) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate
PubChem CID55048142
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCCCO1)C(C)C
InChIInChI=1S/C12H21NO4/c1-9(2)13(8-11(14)16-3)12(15)10-6-4-5-7-17-10/h9-10H,4-8H2,1-3H3
InChIKeyJNQGEZQMGNBQDZ-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate 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

2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid
CID 62214579
methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
CID 55151948
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate
CID 62589837
methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195
N-(2-hydroxyethyl)-N-propan-2-yloxolane-2-carboxamide
CID 43573102
N-(2-aminoethyl)-N-propan-2-yloxolane-2-carboxamide
CID 61349708
methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
methyl 4-[methyl(oxane-2-carbonyl)amino]butanoate
CID 55048143
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765
methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
CID 54871718
N-(2-hydroxypropyl)-N-methyloxane-2-carboxamide
CID 62334074

Frequently Asked Questions

What is the IUPAC name of methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate (CID 55048142) is methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate is COC(=O)CN(C(=O)C1CCCCO1)C(C)C.
What is the InChIKey of methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate?
The InChIKey is JNQGEZQMGNBQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(2)13(8-11(14)16-3)12(15)10-6-4-5-7-17-10/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate?
methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 55048142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).