methyl carbamate;2-methylprop-2-enoic acid

C6H11NO4 — CID 118388900

IUPACmethyl carbamate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.COC(N)=O
InChIInChI=1S/C4H6O2.C2H5NO2/c1-3(2)4(5)6;1-5-2(3)4/h1H2,2H3,(H,5,6);1H3,(H2,3,4)
InChIKeyYYRKRDYVIVNFMK-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.36
Rot. Bonds1

About methyl carbamate;2-methylprop-2-enoic acid

methyl carbamate;2-methylprop-2-enoic acid (PubChem CID 118388900) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is methyl carbamate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namemethyl carbamate;2-methylprop-2-enoic acid
PubChem CID118388900
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namemethyl carbamate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.COC(N)=O
InChIInChI=1S/C4H6O2.C2H5NO2/c1-3(2)4(5)6;1-5-2(3)4/h1H2,2H3,(H,5,6);1H3,(H2,3,4)
InChIKeyYYRKRDYVIVNFMK-UHFFFAOYSA-N
XLogP0.36
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl carbamate;2-methylprop-2-enoic acid?
The IUPAC name of methyl carbamate;2-methylprop-2-enoic acid (CID 118388900) is methyl carbamate;2-methylprop-2-enoic acid.
What is the SMILES notation for methyl carbamate;2-methylprop-2-enoic acid?
The canonical SMILES for methyl carbamate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.COC(N)=O.
What is the InChIKey of methyl carbamate;2-methylprop-2-enoic acid?
The InChIKey is YYRKRDYVIVNFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H5NO2/c1-3(2)4(5)6;1-5-2(3)4/h1H2,2H3,(H,5,6);1H3,(H2,3,4).
What are the key properties of methyl carbamate;2-methylprop-2-enoic acid?
methyl carbamate;2-methylprop-2-enoic acid has a molecular weight of 161.16 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl carbamate;2-methylprop-2-enoic acid is sourced from PubChem (CID 118388900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).