methane;methoxymethyl N-(3-oxobutanoyl)carbamate

C11H27NO5 — CID 157240739

IUPACmethane;methoxymethyl N-(3-oxobutanoyl)carbamate
SMILESC.C.C.C.COCOC(=O)NC(=O)CC(C)=O
InChIInChI=1S/C7H11NO5.4CH4/c1-5(9)3-6(10)8-7(11)13-4-12-2;;;;/h3-4H2,1-2H3,(H,8,10,11);4*1H4
InChIKeyAVEJFEQBMYHPQV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.37
Rot. Bonds4

About methane;methoxymethyl N-(3-oxobutanoyl)carbamate

methane;methoxymethyl N-(3-oxobutanoyl)carbamate (PubChem CID 157240739) has the molecular formula C11H27NO5 and a molecular weight of 253.34 g/mol. Its IUPAC name is methane;methoxymethyl N-(3-oxobutanoyl)carbamate.

Molecular Properties

Compound Namemethane;methoxymethyl N-(3-oxobutanoyl)carbamate
PubChem CID157240739
Molecular FormulaC11H27NO5
Molecular Weight253.34 g/mol
Exact Mass253.19
IUPAC Namemethane;methoxymethyl N-(3-oxobutanoyl)carbamate
SMILESC.C.C.C.COCOC(=O)NC(=O)CC(C)=O
InChIInChI=1S/C7H11NO5.4CH4/c1-5(9)3-6(10)8-7(11)13-4-12-2;;;;/h3-4H2,1-2H3,(H,8,10,11);4*1H4
InChIKeyAVEJFEQBMYHPQV-UHFFFAOYSA-N
XLogP2.37
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;methoxymethyl 3-oxobutanoate
CID 158766940
methoxymethyl N-[(methoxymethoxycarbonylamino)methyl]carbamate
CID 59934481
methoxymethyl 3-oxo-4-[(3-oxobutanoylamino)methylamino]butanoate
CID 54048601
methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide
CID 167615901
methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine
CID 90764111
methoxymethyl 2,5-dioxohexanoate
CID 130311044
methoxymethyl (E)-6-oxohept-3-enoate
CID 153279843
methoxymethyl carbonochloridate
CID 21418650
methane;methoxymethyl butanoate
CID 159855538
pentane-2,4-dione;propan-2-one;ruthenium
CID 175213221
Lithium pentane-2,4-dione
CID 86735745
sodium methoxymethyl carbonate
CID 139846012

Frequently Asked Questions

What is the IUPAC name of methane;methoxymethyl N-(3-oxobutanoyl)carbamate?
The IUPAC name of methane;methoxymethyl N-(3-oxobutanoyl)carbamate (CID 157240739) is methane;methoxymethyl N-(3-oxobutanoyl)carbamate.
What is the SMILES notation for methane;methoxymethyl N-(3-oxobutanoyl)carbamate?
The canonical SMILES for methane;methoxymethyl N-(3-oxobutanoyl)carbamate is C.C.C.C.COCOC(=O)NC(=O)CC(C)=O.
What is the InChIKey of methane;methoxymethyl N-(3-oxobutanoyl)carbamate?
The InChIKey is AVEJFEQBMYHPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5.4CH4/c1-5(9)3-6(10)8-7(11)13-4-12-2;;;;/h3-4H2,1-2H3,(H,8,10,11);4*1H4.
What are the key properties of methane;methoxymethyl N-(3-oxobutanoyl)carbamate?
methane;methoxymethyl N-(3-oxobutanoyl)carbamate has a molecular weight of 253.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxymethyl N-(3-oxobutanoyl)carbamate is sourced from PubChem (CID 157240739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).