(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate

C5H7NO4 — CID 87299763

IUPAC(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate
SMILESC=CC(=O)OC(O)C(N)=O
InChIInChI=1S/C5H7NO4/c1-2-3(7)10-5(9)4(6)8/h2,5,9H,1H2,(H2,6,8)
InChIKeyFXMIYCNIUIUNAY-UHFFFAOYSA-N
MW145.11 g/mol
LogP-1.48
Rot. Bonds3

About (2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate

(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate (PubChem CID 87299763) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate.

Molecular Properties

Compound Name(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate
PubChem CID87299763
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate
SMILESC=CC(=O)OC(O)C(N)=O
InChIInChI=1S/C5H7NO4/c1-2-3(7)10-5(9)4(6)8/h2,5,9H,1H2,(H2,6,8)
InChIKeyFXMIYCNIUIUNAY-UHFFFAOYSA-N
XLogP-1.48
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
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

[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide
CID 88701752
2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate
CID 174598026
1-(carbamoylamino)ethyl prop-2-enoate
CID 22146186
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-fluoroprop-2-enyl prop-2-enoate
CID 87065178
1-silylprop-2-enyl prop-2-enoate
CID 173000207
prop-2-enamide;ruthenium
CID 90254548
1-sulfamoylethyl prop-2-enoate
CID 19880963
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate?
The IUPAC name of (2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate (CID 87299763) is (2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate.
What is the SMILES notation for (2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate?
The canonical SMILES for (2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate is C=CC(=O)OC(O)C(N)=O.
What is the InChIKey of (2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate?
The InChIKey is FXMIYCNIUIUNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c1-2-3(7)10-5(9)4(6)8/h2,5,9H,1H2,(H2,6,8).
What are the key properties of (2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate?
(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate has a molecular weight of 145.11 g/mol, XLogP of -1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate is sourced from PubChem (CID 87299763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).