ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane

C9H17NO5 — CID 18997976

IUPACethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane
SMILESC=CC(=O)NC(O)C(=O)OCC.COC
InChIInChI=1S/C7H11NO4.C2H6O/c1-3-5(9)8-6(10)7(11)12-4-2;1-3-2/h3,6,10H,1,4H2,2H3,(H,8,9);1-2H3
InChIKeyJCECIDZYJSHXPD-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.57
Rot. Bonds4

About ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane

ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane (PubChem CID 18997976) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane
PubChem CID18997976
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Nameethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane
SMILESC=CC(=O)NC(O)C(=O)OCC.COC
InChIInChI=1S/C7H11NO4.C2H6O/c1-3-5(9)8-6(10)7(11)12-4-2;1-3-2/h3,6,10H,1,4H2,2H3,(H,8,9);1-2H3
InChIKeyJCECIDZYJSHXPD-UHFFFAOYSA-N
XLogP-0.57
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methoxymethane;propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18997974
propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18997975
N-[ethoxy(hydroxy)methyl]prop-2-enamide
CID 54426891
butyl 2-ethoxy-2-(prop-2-enoylamino)acetate
CID 57016088
(2R)-2-hydroxy-2-(prop-2-enoylamino)acetate
CID 6931091
N-(1,2-dihydroxybutyl)prop-2-enamide
CID 174879831
N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide
CID 87880276
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
N-(4-hydroxyhexan-3-yl)prop-2-enamide
CID 176975317
N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
CID 118137430
O-ethyl N-prop-2-enoylcarbamothioate
CID 91430056
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane?
The IUPAC name of ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane (CID 18997976) is ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane.
What is the SMILES notation for ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane?
The canonical SMILES for ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane is C=CC(=O)NC(O)C(=O)OCC.COC.
What is the InChIKey of ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane?
The InChIKey is JCECIDZYJSHXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4.C2H6O/c1-3-5(9)8-6(10)7(11)12-4-2;1-3-2/h3,6,10H,1,4H2,2H3,(H,8,9);1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane?
ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane has a molecular weight of 219.24 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane is sourced from PubChem (CID 18997976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).