methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate

C10H15NO6 — CID 102192656

IUPACmethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate
SMILESCOC(=O)C(=O)C(=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO6/c1-10(2,3)17-9(15)11(4)7(13)6(12)8(14)16-5/h1-5H3
InChIKeyPZZLDZPAQOBKAV-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.12
Rot. Bonds2

About methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate

methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate (PubChem CID 102192656) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate
PubChem CID102192656
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Namemethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate
SMILESCOC(=O)C(=O)C(=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO6/c1-10(2,3)17-9(15)11(4)7(13)6(12)8(14)16-5/h1-5H3
InChIKeyPZZLDZPAQOBKAV-UHFFFAOYSA-N
XLogP0.12
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-O-tert-butyl 1-O-methyl 2-oxopropanedioate
CID 140731736
tert-butyl N-acetyl-N-methylcarbamate
CID 11052126
tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate
CID 125496778
dimethyl 2-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylidene]propanedioate
CID 54691513
tert-butyl N-methyl-N-(methylamino)carbamate
CID 10678541
tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate
CID 58446238
tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 12030174
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate
CID 131748881
2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid
CID 54487148
tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate
CID 170975536
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate
CID 166715447

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate?
The IUPAC name of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate (CID 102192656) is methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate.
What is the SMILES notation for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate?
The canonical SMILES for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate is COC(=O)C(=O)C(=O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate?
The InChIKey is PZZLDZPAQOBKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6/c1-10(2,3)17-9(15)11(4)7(13)6(12)8(14)16-5/h1-5H3.
What are the key properties of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate?
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate has a molecular weight of 245.23 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate is sourced from PubChem (CID 102192656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).