(methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate

C8H12N2O4 — CID 139748440

IUPAC(methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCNC(=O)N=COC
InChIInChI=1S/C8H12N2O4/c1-6(2)7(11)14-5-10-8(12)9-4-13-3/h4H,1,5H2,2-3H3,(H,10,12)
InChIKeyIOEQRBDRVOSLMT-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.45
Rot. Bonds4

About (methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate

(methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate (PubChem CID 139748440) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate
PubChem CID139748440
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCNC(=O)N=COC
InChIInChI=1S/C8H12N2O4/c1-6(2)7(11)14-5-10-8(12)9-4-13-3/h4H,1,5H2,2-3H3,(H,10,12)
InChIKeyIOEQRBDRVOSLMT-UHFFFAOYSA-N
XLogP0.45
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(3-amino-3-oxopropanoyl)amino]methyl 2-methylprop-2-enoate;nitrous acid
CID 174511243
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
(diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate
CID 122661617
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 175307353

Frequently Asked Questions

What is the IUPAC name of (methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate?
The IUPAC name of (methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate (CID 139748440) is (methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate?
The canonical SMILES for (methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCNC(=O)N=COC.
What is the InChIKey of (methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate?
The InChIKey is IOEQRBDRVOSLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-6(2)7(11)14-5-10-8(12)9-4-13-3/h4H,1,5H2,2-3H3,(H,10,12).
What are the key properties of (methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate?
(methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate has a molecular weight of 200.19 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 139748440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).