(E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid

C4H5NO4 — CID 174851391

IUPAC(E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid
SMILESNC(=O)/C(O)=C\C(=O)O
InChIInChI=1S/C4H5NO4/c5-4(9)2(6)1-3(7)8/h1,6H,(H2,5,9)(H,7,8)/b2-1+
InChIKeyUIIHEYITCNNGJA-OWOJBTEDSA-N
MW131.09 g/mol
LogP-1.00
Rot. Bonds2

About (E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid

(E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid (PubChem CID 174851391) has the molecular formula C4H5NO4 and a molecular weight of 131.09 g/mol. Its IUPAC name is (E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid
PubChem CID174851391
Molecular FormulaC4H5NO4
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name(E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid
SMILESNC(=O)/C(O)=C\C(=O)O
InChIInChI=1S/C4H5NO4/c5-4(9)2(6)1-3(7)8/h1,6H,(H2,5,9)(H,7,8)/b2-1+
InChIKeyUIIHEYITCNNGJA-OWOJBTEDSA-N
XLogP-1.00
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-2-hydroxybut-2-enediamide
CID 142800168
(E)-3,4-diamino-4-oxobut-2-enoic acid
CID 59912426
3-amino-4,4-difluorobut-2-enoic acid
CID 73446986
(E)-3-amino-3-sulfanylprop-2-enoic acid
CID 143228995
2-hydroxybut-2-enamide;hydrochloride
CID 177282590
tris(2-hydroxy-4-oxo-4-pyrrolidin-1-ylbut-2-enamide);iron
CID 158111622
(Z)-3-amino-4-hydroxybut-2-enoic acid
CID 55291219
(Z)-3-aminopent-2-enoic acid
CID 21472497
3-hydroxy-5,5-dimethyl-4-oxohex-2-enoic acid
CID 142755484
(Z)-3-carbamoylhex-2-enoic acid
CID 87098974
Carbamic acid--silanol (1/1)
CID 78063810
[(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate
CID 176652558

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid (CID 174851391) is (E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid is NC(=O)/C(O)=C\C(=O)O.
What is the InChIKey of (E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid?
The InChIKey is UIIHEYITCNNGJA-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H5NO4/c5-4(9)2(6)1-3(7)8/h1,6H,(H2,5,9)(H,7,8)/b2-1+.
What are the key properties of (E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid?
(E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid has a molecular weight of 131.09 g/mol, XLogP of -1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 174851391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).