methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate

C10H13NO5 — CID 142851755

IUPACmethyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate
SMILESC=C1C(=O)O[C@@H](C)[C@@H]1C(=O)NCC(=O)OC
InChIInChI=1S/C10H13NO5/c1-5-8(6(2)16-10(5)14)9(13)11-4-7(12)15-3/h6,8H,1,4H2,2-3H3,(H,11,13)/t6-,8+/m0/s1
InChIKeyZOLQPSPTXBNUTO-POYBYMJQSA-N
MW227.22 g/mol
LogP-0.61
Rot. Bonds3

About methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate

methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate (PubChem CID 142851755) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate
PubChem CID142851755
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Namemethyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate
SMILESC=C1C(=O)O[C@@H](C)[C@@H]1C(=O)NCC(=O)OC
InChIInChI=1S/C10H13NO5/c1-5-8(6(2)16-10(5)14)9(13)11-4-7(12)15-3/h6,8H,1,4H2,2-3H3,(H,11,13)/t6-,8+/m0/s1
InChIKeyZOLQPSPTXBNUTO-POYBYMJQSA-N
XLogP-0.61
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate (CID 142851755) is methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate is C=C1C(=O)O[C@@H](C)[C@@H]1C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate?
The InChIKey is ZOLQPSPTXBNUTO-POYBYMJQSA-N. The full InChI is InChI=1S/C10H13NO5/c1-5-8(6(2)16-10(5)14)9(13)11-4-7(12)15-3/h6,8H,1,4H2,2-3H3,(H,11,13)/t6-,8+/m0/s1.
What are the key properties of methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate?
methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate has a molecular weight of 227.22 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S,3R)-2-methyl-4-methylidene-5-oxooxolane-3-carbonyl]amino]acetate is sourced from PubChem (CID 142851755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).