methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate

C20H32N2O10 — CID 24763570

IUPACmethyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H](C)NC(=O)CO[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C20H32N2O10/c1-10(17(25)21-7-13(24)26-6)22-12(23)9-27-18-16-15(31-20(4,5)32-16)14(29-18)11-8-28-19(2,3)30-11/h10-11,14-16,18H,7-9H2,1-6H3,(H,21,25)(H,22,23)/t10-,11-,14-,15+,16+,18+/m1/s1
InChIKeyHNFOPDQFHPAHIY-RAJGIOPESA-N
MW460.48 g/mol
LogP-0.81
Rot. Bonds8

About methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate

methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate (PubChem CID 24763570) has the molecular formula C20H32N2O10 and a molecular weight of 460.48 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate
PubChem CID24763570
Molecular FormulaC20H32N2O10
Molecular Weight460.48 g/mol
Exact Mass460.21
IUPAC Namemethyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H](C)NC(=O)CO[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C20H32N2O10/c1-10(17(25)21-7-13(24)26-6)22-12(23)9-27-18-16-15(31-20(4,5)32-16)14(29-18)11-8-28-19(2,3)30-11/h10-11,14-16,18H,7-9H2,1-6H3,(H,21,25)(H,22,23)/t10-,11-,14-,15+,16+,18+/m1/s1
InChIKeyHNFOPDQFHPAHIY-RAJGIOPESA-N
XLogP-0.81
TPSA139.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate with MolForge

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Related Compounds

[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] N-ethylcarbamate
CID 101370528
(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 102120302
(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 58860214
(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-[1-(2-methylpropoxy)ethoxy]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 58860262
[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] benzoate
CID 570543
[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 3-methylbutanoate
CID 23259793
(2S,3S)-1,4-bis[[(1R,2S,6S,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]oxy]butane-2,3-diol
CID 11192762
[(3aR,5R,6S,6aR)-6-[[(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 66653374
methyl (4S,5S)-5-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 154706321
methyl (4R,5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 156595132
methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate
CID 54222962
[(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] 2-[[3-[[(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-2-methyl-3-oxo-2-(propanoyloxymethyl)propoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate
CID 158205714

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate?
The IUPAC name of methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate (CID 24763570) is methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate is COC(=O)CNC(=O)[C@@H](C)NC(=O)CO[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate?
The InChIKey is HNFOPDQFHPAHIY-RAJGIOPESA-N. The full InChI is InChI=1S/C20H32N2O10/c1-10(17(25)21-7-13(24)26-6)22-12(23)9-27-18-16-15(31-20(4,5)32-16)14(29-18)11-8-28-19(2,3)30-11/h10-11,14-16,18H,7-9H2,1-6H3,(H,21,25)(H,22,23)/t10-,11-,14-,15+,16+,18+/m1/s1.
What are the key properties of methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate?
methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate has a molecular weight of 460.48 g/mol, XLogP of -0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-2-[[2-[[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]acetyl]amino]propanoyl]amino]acetate is sourced from PubChem (CID 24763570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).