2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid

C6H9NO4 — CID 53471828

IUPAC2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid
SMILESC/C=C/C(=O)NC(O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-2-3-4(8)7-5(9)6(10)11/h2-3,5,9H,1H3,(H,7,8)(H,10,11)/b3-2+
InChIKeyZLNHBBOEOPPLRA-NSCUHMNNSA-N
MW159.14 g/mol
LogP-0.92
Rot. Bonds3

About 2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid

2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid (PubChem CID 53471828) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid
PubChem CID53471828
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid
SMILESC/C=C/C(=O)NC(O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-2-3-4(8)7-5(9)6(10)11/h2-3,5,9H,1H3,(H,7,8)(H,10,11)/b3-2+
InChIKeyZLNHBBOEOPPLRA-NSCUHMNNSA-N
XLogP-0.92
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
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'}

Analyze 2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid?
The IUPAC name of 2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid (CID 53471828) is 2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid?
The canonical SMILES for 2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid is C/C=C/C(=O)NC(O)C(=O)O.
What is the InChIKey of 2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid?
The InChIKey is ZLNHBBOEOPPLRA-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H9NO4/c1-2-3-4(8)7-5(9)6(10)11/h2-3,5,9H,1H3,(H,7,8)(H,10,11)/b3-2+.
What are the key properties of 2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid?
2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid has a molecular weight of 159.14 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enoyl]amino]-2-hydroxyacetic acid is sourced from PubChem (CID 53471828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).