(4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate

C11H15NO5 — CID 58186203

IUPAC(4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NCC(=O)OC1COC(=O)C1C
InChIInChI=1S/C11H15NO5/c1-6(2)10(14)12-4-9(13)17-8-5-16-11(15)7(8)3/h7-8H,1,4-5H2,2-3H3,(H,12,14)
InChIKeyOGRXLUGHABZGKP-UHFFFAOYSA-N
MW241.24 g/mol
LogP-0.22
Rot. Bonds4

About (4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate

(4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate (PubChem CID 58186203) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate.

Molecular Properties

Compound Name(4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate
PubChem CID58186203
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NCC(=O)OC1COC(=O)C1C
InChIInChI=1S/C11H15NO5/c1-6(2)10(14)12-4-9(13)17-8-5-16-11(15)7(8)3/h7-8H,1,4-5H2,2-3H3,(H,12,14)
InChIKeyOGRXLUGHABZGKP-UHFFFAOYSA-N
XLogP-0.22
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)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

(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-(2-methylprop-2-enoylamino)acetate
CID 58186340
(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(2-methylprop-2-enoylamino)acetate
CID 59623205
(3S,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one
CID 10582865
(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2-methylprop-2-enoylamino)acetate
CID 59623291
6-methoxy-5-methyl-3-[2-(2-methylprop-2-enoylamino)acetyl]oxybicyclo[2.2.1]heptane-2-sulfinate
CID 118070692
(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2-methylprop-2-enoylamino)acetate
CID 59623127
6-methoxy-1-methyl-5-[2-(2-methylprop-2-enoylamino)acetyl]oxy-7-oxabicyclo[2.2.1]heptane-2-sulfinate
CID 118070623
[2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 68793673
(3-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate
CID 167550898
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) butanedioate
CID 59593728
(8,8-dimethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2-methylprop-2-enoylamino)acetate
CID 59623413
2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide
CID 10262559

Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate?
The IUPAC name of (4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate (CID 58186203) is (4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate.
What is the SMILES notation for (4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate?
The canonical SMILES for (4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate is C=C(C)C(=O)NCC(=O)OC1COC(=O)C1C.
What is the InChIKey of (4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate?
The InChIKey is OGRXLUGHABZGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-6(2)10(14)12-4-9(13)17-8-5-16-11(15)7(8)3/h7-8H,1,4-5H2,2-3H3,(H,12,14).
What are the key properties of (4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate?
(4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate has a molecular weight of 241.24 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-oxooxolan-3-yl) 2-(2-methylprop-2-enoylamino)acetate is sourced from PubChem (CID 58186203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).