ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate

C15H25NO8 — CID 11727728

IUPACethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate
SMILESCCOC(=O)[C@@H]([C@@H](O)[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@H]12)N(C)C=O
InChIInChI=1S/C15H25NO8/c1-6-21-13(19)8(16(4)7-17)9(18)10-11-12(14(20-5)22-10)24-15(2,3)23-11/h7-12,14,18H,6H2,1-5H3/t8-,9-,10-,11-,12-,14-/m1/s1
InChIKeyGIXPCMUBFKGPIL-HXZMXFDXSA-N
MW347.36 g/mol
LogP-0.74
Rot. Bonds7

About ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate

ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate (PubChem CID 11727728) has the molecular formula C15H25NO8 and a molecular weight of 347.36 g/mol. Its IUPAC name is ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate
PubChem CID11727728
Molecular FormulaC15H25NO8
Molecular Weight347.36 g/mol
Exact Mass347.16
IUPAC Nameethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate
SMILESCCOC(=O)[C@@H]([C@@H](O)[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@H]12)N(C)C=O
InChIInChI=1S/C15H25NO8/c1-6-21-13(19)8(16(4)7-17)9(18)10-11-12(14(20-5)22-10)24-15(2,3)23-11/h7-12,14,18H,6H2,1-5H3/t8-,9-,10-,11-,12-,14-/m1/s1
InChIKeyGIXPCMUBFKGPIL-HXZMXFDXSA-N
XLogP-0.74
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate?
The IUPAC name of ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate (CID 11727728) is ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate?
The canonical SMILES for ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate is CCOC(=O)[C@@H]([C@@H](O)[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@H]12)N(C)C=O.
What is the InChIKey of ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate?
The InChIKey is GIXPCMUBFKGPIL-HXZMXFDXSA-N. The full InChI is InChI=1S/C15H25NO8/c1-6-21-13(19)8(16(4)7-17)9(18)10-11-12(14(20-5)22-10)24-15(2,3)23-11/h7-12,14,18H,6H2,1-5H3/t8-,9-,10-,11-,12-,14-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate?
ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate has a molecular weight of 347.36 g/mol, XLogP of -0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 11727728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).