methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate

C7H11NO4 — CID 18544902

IUPACmethyl 2-hydroxy-3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCC(O)C(=O)OC
InChIInChI=1S/C7H11NO4/c1-3-6(10)8-4-5(9)7(11)12-2/h3,5,9H,1,4H2,2H3,(H,8,10)
InChIKeyLWMJEVYAESTTOH-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.18
Rot. Bonds4

About methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate

methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate (PubChem CID 18544902) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(prop-2-enoylamino)propanoate
PubChem CID18544902
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namemethyl 2-hydroxy-3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCC(O)C(=O)OC
InChIInChI=1S/C7H11NO4/c1-3-6(10)8-4-5(9)7(11)12-2/h3,5,9H,1,4H2,2H3,(H,8,10)
InChIKeyLWMJEVYAESTTOH-UHFFFAOYSA-N
XLogP-1.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate (CID 18544902) is methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate is C=CC(=O)NCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate?
The InChIKey is LWMJEVYAESTTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-6(10)8-4-5(9)7(11)12-2/h3,5,9H,1,4H2,2H3,(H,8,10).
What are the key properties of methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate?
methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate has a molecular weight of 173.17 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 18544902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).