3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C19H36N2O10 — CID 86762796

IUPAC3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCOC(=O)NC(C(=O)O)C(C)(C)OC.COC(C)(C)C(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO5.C8H15NO5/c1-10(2,3)17-9(15)12-7(8(13)14)11(4,5)16-6;1-8(2,14-4)5(6(10)11)9-7(12)13-3/h7H,1-6H3,(H,12,15)(H,13,14);5H,1-4H3,(H,9,12)(H,10,11)
InChIKeyGFKMBRNRPRLLCY-UHFFFAOYSA-N
MW452.50 g/mol
LogP1.61
Rot. Bonds8

About 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 86762796) has the molecular formula C19H36N2O10 and a molecular weight of 452.50 g/mol. Its IUPAC name is 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID86762796
Molecular FormulaC19H36N2O10
Molecular Weight452.50 g/mol
Exact Mass452.24
IUPAC Name3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCOC(=O)NC(C(=O)O)C(C)(C)OC.COC(C)(C)C(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO5.C8H15NO5/c1-10(2,3)17-9(15)12-7(8(13)14)11(4,5)16-6;1-8(2,14-4)5(6(10)11)9-7(12)13-3/h7H,1-6H3,(H,12,15)(H,13,14);5H,1-4H3,(H,9,12)(H,10,11)
InChIKeyGFKMBRNRPRLLCY-UHFFFAOYSA-N
XLogP1.61
TPSA169.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid with MolForge

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Related Compounds

[3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl] 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoate
CID 90435595
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 86656444
(2S)-4-fluoro-3-(fluoromethyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118219392
3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 59940785
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
(2S,3R)-3-ethynyl-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 102065556
tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 86760074
tert-butyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate;ethane
CID 145466117
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87381369
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122505376
(2S,7S)-2,7-bis[(2-methylpropan-2-yl)oxycarbonylamino]oct-4-ynedioic acid
CID 10692349

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 86762796) is 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is COC(=O)NC(C(=O)O)C(C)(C)OC.COC(C)(C)C(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is GFKMBRNRPRLLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5.C8H15NO5/c1-10(2,3)17-9(15)12-7(8(13)14)11(4,5)16-6;1-8(2,14-4)5(6(10)11)9-7(12)13-3/h7H,1-6H3,(H,12,15)(H,13,14);5H,1-4H3,(H,9,12)(H,10,11).
What are the key properties of 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 452.50 g/mol, XLogP of 1.61, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 86762796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).