2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane

C8H15NO5 — CID 87388126

IUPAC2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane
SMILESC=CC(=O)N(C)C(O)C(=O)O.COC
InChIInChI=1S/C6H9NO4.C2H6O/c1-3-4(8)7(2)5(9)6(10)11;1-3-2/h3,5,9H,1H2,2H3,(H,10,11);1-2H3
InChIKeySNFSIWTUUZVOJQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.70
Rot. Bonds3

About 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane

2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane (PubChem CID 87388126) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane.

Molecular Properties

Compound Name2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane
PubChem CID87388126
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane
SMILESC=CC(=O)N(C)C(O)C(=O)O.COC
InChIInChI=1S/C6H9NO4.C2H6O/c1-3-4(8)7(2)5(9)6(10)11;1-3-2/h3,5,9H,1H2,2H3,(H,10,11);1-2H3
InChIKeySNFSIWTUUZVOJQ-UHFFFAOYSA-N
XLogP-0.70
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.70
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane?
The IUPAC name of 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane (CID 87388126) is 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane.
What is the SMILES notation for 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane?
The canonical SMILES for 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane is C=CC(=O)N(C)C(O)C(=O)O.COC.
What is the InChIKey of 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane?
The InChIKey is SNFSIWTUUZVOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4.C2H6O/c1-3-4(8)7(2)5(9)6(10)11;1-3-2/h3,5,9H,1H2,2H3,(H,10,11);1-2H3.
What are the key properties of 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane?
2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane has a molecular weight of 205.21 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid;methoxymethane is sourced from PubChem (CID 87388126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).