methyl 3-carbamoyloxy-2-methylpropanoate

C6H11NO4 — CID 73003826

IUPACmethyl 3-carbamoyloxy-2-methylpropanoate
SMILESCOC(=O)C(C)COC(N)=O
InChIInChI=1S/C6H11NO4/c1-4(5(8)10-2)3-11-6(7)9/h4H,3H2,1-2H3,(H2,7,9)
InChIKeyBCLAWZYTKGRTKV-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.11
Rot. Bonds3

About methyl 3-carbamoyloxy-2-methylpropanoate

methyl 3-carbamoyloxy-2-methylpropanoate (PubChem CID 73003826) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is methyl 3-carbamoyloxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-carbamoyloxy-2-methylpropanoate
PubChem CID73003826
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namemethyl 3-carbamoyloxy-2-methylpropanoate
SMILESCOC(=O)C(C)COC(N)=O
InChIInChI=1S/C6H11NO4/c1-4(5(8)10-2)3-11-6(7)9/h4H,3H2,1-2H3,(H2,7,9)
InChIKeyBCLAWZYTKGRTKV-UHFFFAOYSA-N
XLogP-0.11
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-carbamoyloxy-2-methylpropanoate?
The IUPAC name of methyl 3-carbamoyloxy-2-methylpropanoate (CID 73003826) is methyl 3-carbamoyloxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-carbamoyloxy-2-methylpropanoate?
The canonical SMILES for methyl 3-carbamoyloxy-2-methylpropanoate is COC(=O)C(C)COC(N)=O.
What is the InChIKey of methyl 3-carbamoyloxy-2-methylpropanoate?
The InChIKey is BCLAWZYTKGRTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(5(8)10-2)3-11-6(7)9/h4H,3H2,1-2H3,(H2,7,9).
What are the key properties of methyl 3-carbamoyloxy-2-methylpropanoate?
methyl 3-carbamoyloxy-2-methylpropanoate has a molecular weight of 161.16 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbamoyloxy-2-methylpropanoate is sourced from PubChem (CID 73003826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).