2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid

C8H9NO5 — CID 87119620

IUPAC2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid
SMILESC=CC(=O)N(C(=O)C=C)C(O)C(=O)O
InChIInChI=1S/C8H9NO5/c1-3-5(10)9(6(11)4-2)7(12)8(13)14/h3-4,7,12H,1-2H2,(H,13,14)
InChIKeyUZUFSPWRXAAQIV-UHFFFAOYSA-N
MW199.16 g/mol
LogP-0.88
Rot. Bonds4

About 2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid

2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid (PubChem CID 87119620) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid
PubChem CID87119620
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid
SMILESC=CC(=O)N(C(=O)C=C)C(O)C(=O)O
InChIInChI=1S/C8H9NO5/c1-3-5(10)9(6(11)4-2)7(12)8(13)14/h3-4,7,12H,1-2H2,(H,13,14)
InChIKeyUZUFSPWRXAAQIV-UHFFFAOYSA-N
XLogP-0.88
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-0.88
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-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid?
The IUPAC name of 2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid (CID 87119620) is 2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid?
The canonical SMILES for 2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid is C=CC(=O)N(C(=O)C=C)C(O)C(=O)O.
What is the InChIKey of 2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid?
The InChIKey is UZUFSPWRXAAQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c1-3-5(10)9(6(11)4-2)7(12)8(13)14/h3-4,7,12H,1-2H2,(H,13,14).
What are the key properties of 2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid?
2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid has a molecular weight of 199.16 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(prop-2-enoyl)amino]-2-hydroxyacetic acid is sourced from PubChem (CID 87119620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).