methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate

C7H11NO5 — CID 71435689

IUPACmethyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate
SMILESCOC=C(NC(=O)OC)C(=O)OC
InChIInChI=1S/C7H11NO5/c1-11-4-5(6(9)12-2)8-7(10)13-3/h4H,1-3H3,(H,8,10)
InChIKeyZUHFMTWROKITIO-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.00
Rot. Bonds3

About methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate

methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate (PubChem CID 71435689) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate
PubChem CID71435689
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Namemethyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate
SMILESCOC=C(NC(=O)OC)C(=O)OC
InChIInChI=1S/C7H11NO5/c1-11-4-5(6(9)12-2)8-7(10)13-3/h4H,1-3H3,(H,8,10)
InChIKeyZUHFMTWROKITIO-UHFFFAOYSA-N
XLogP0.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate?
The IUPAC name of methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate (CID 71435689) is methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate.
What is the SMILES notation for methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate?
The canonical SMILES for methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate is COC=C(NC(=O)OC)C(=O)OC.
What is the InChIKey of methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate?
The InChIKey is ZUHFMTWROKITIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-11-4-5(6(9)12-2)8-7(10)13-3/h4H,1-3H3,(H,8,10).
What are the key properties of methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate?
methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate has a molecular weight of 189.17 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate is sourced from PubChem (CID 71435689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).