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

C6H9NO4 — CID 22171911

IUPAC2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid
SMILESC=CC(=O)N(C)C(O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-3-4(8)7(2)5(9)6(10)11/h3,5,9H,1H2,2H3,(H,10,11)
InChIKeyXTASWCYFRJQIKC-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.97
Rot. Bonds3

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

2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid (PubChem CID 22171911) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid
PubChem CID22171911
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid
SMILESC=CC(=O)N(C)C(O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-3-4(8)7(2)5(9)6(10)11/h3,5,9H,1H2,2H3,(H,10,11)
InChIKeyXTASWCYFRJQIKC-UHFFFAOYSA-N
XLogP-0.97
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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?
The IUPAC name of 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid (CID 22171911) is 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid?
The canonical SMILES for 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid is C=CC(=O)N(C)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid?
The InChIKey is XTASWCYFRJQIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-3-4(8)7(2)5(9)6(10)11/h3,5,9H,1H2,2H3,(H,10,11).
What are the key properties of 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid?
2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid has a molecular weight of 159.14 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[methyl(prop-2-enoyl)amino]acetic acid is sourced from PubChem (CID 22171911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).