ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate

C9H15NO4 — CID 139839908

IUPACethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NC(OC)C(=O)OCC
InChIInChI=1S/C9H15NO4/c1-5-14-9(12)8(13-4)10-7(11)6(2)3/h8H,2,5H2,1,3-4H3,(H,10,11)
InChIKeyFIJJOZSRDMPLFJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.21
Rot. Bonds5

About ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate

ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate (PubChem CID 139839908) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate
PubChem CID139839908
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NC(OC)C(=O)OCC
InChIInChI=1S/C9H15NO4/c1-5-14-9(12)8(13-4)10-7(11)6(2)3/h8H,2,5H2,1,3-4H3,(H,10,11)
InChIKeyFIJJOZSRDMPLFJ-UHFFFAOYSA-N
XLogP0.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.21
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
CID 54452734
ethyl (2S)-2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]propanoate
CID 139974005
N-(dibutoxymethyl)-2-methylprop-2-enamide
CID 91873110
N-(1-chloropropyl)-2-methylprop-2-enamide
CID 23228242
3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 174962004
(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid
CID 102242630
2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide
CID 175297760
ethyl 2-methylprop-2-enoate
CID 130475774
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
ethyl 3-hydroxy-2-methoxypropanoate
CID 152667160

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate?
The IUPAC name of ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate (CID 139839908) is ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate.
What is the SMILES notation for ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate?
The canonical SMILES for ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate is C=C(C)C(=O)NC(OC)C(=O)OCC.
What is the InChIKey of ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate?
The InChIKey is FIJJOZSRDMPLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5-14-9(12)8(13-4)10-7(11)6(2)3/h8H,2,5H2,1,3-4H3,(H,10,11).
What are the key properties of ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate?
ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate has a molecular weight of 201.22 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate is sourced from PubChem (CID 139839908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).