methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate

C15H23NO6 — CID 143887254

IUPACmethyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate
SMILESC=CCC(C(=O)N1[C@@H](C)OC[C@H]1C(=O)OC)C1(C)OCCO1
InChIInChI=1S/C15H23NO6/c1-5-6-11(15(3)21-7-8-22-15)13(17)16-10(2)20-9-12(16)14(18)19-4/h5,10-12H,1,6-9H2,2-4H3/t10-,11?,12+/m1/s1
InChIKeyUCAMXUNPLWFLHH-LWALXPGCSA-N
MW313.35 g/mol
LogP0.69
Rot. Bonds5

About methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate

methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate (PubChem CID 143887254) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate
PubChem CID143887254
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC Namemethyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate
SMILESC=CCC(C(=O)N1[C@@H](C)OC[C@H]1C(=O)OC)C1(C)OCCO1
InChIInChI=1S/C15H23NO6/c1-5-6-11(15(3)21-7-8-22-15)13(17)16-10(2)20-9-12(16)14(18)19-4/h5,10-12H,1,6-9H2,2-4H3/t10-,11?,12+/m1/s1
InChIKeyUCAMXUNPLWFLHH-LWALXPGCSA-N
XLogP0.69
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1,3-dioxolan-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one
CID 70658479
2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enal
CID 89008866
methyl (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)pent-4-enoyl]-5-prop-2-enylpyrrolidine-2-carboxylate
CID 89204717
dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate
CID 68860687
methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate
CID 124735104
3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
CID 104774851
2-(2-methyloxolan-2-yl)pent-4-enoic acid
CID 70658478
methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate
CID 118118158
methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate
CID 89049260
methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
CID 97064900
2-O-methyl 1-O-prop-2-enyl 4-acetylsulfanylpyrrolidine-1,2-dicarboxylate
CID 19906189
methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate
CID 12052978

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate (CID 143887254) is methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate is C=CCC(C(=O)N1[C@@H](C)OC[C@H]1C(=O)OC)C1(C)OCCO1.
What is the InChIKey of methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate?
The InChIKey is UCAMXUNPLWFLHH-LWALXPGCSA-N. The full InChI is InChI=1S/C15H23NO6/c1-5-6-11(15(3)21-7-8-22-15)13(17)16-10(2)20-9-12(16)14(18)19-4/h5,10-12H,1,6-9H2,2-4H3/t10-,11?,12+/m1/s1.
What are the key properties of methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate?
methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoyl]-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 143887254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).