(Z)-3-amino-4-hydroxybut-2-enoic acid

C4H7NO3 — CID 55291219

IUPAC(Z)-3-amino-4-hydroxybut-2-enoic acid
SMILESN/C(=C\C(=O)O)CO
InChIInChI=1S/C4H7NO3/c5-3(2-6)1-4(7)8/h1,6H,2,5H2,(H,7,8)/b3-1-
InChIKeyUOYOCQOBJOPMGV-IWQZZHSRSA-N
MW117.10 g/mol
LogP-1.09
Rot. Bonds2

About (Z)-3-amino-4-hydroxybut-2-enoic acid

(Z)-3-amino-4-hydroxybut-2-enoic acid (PubChem CID 55291219) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is (Z)-3-amino-4-hydroxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-amino-4-hydroxybut-2-enoic acid
PubChem CID55291219
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name(Z)-3-amino-4-hydroxybut-2-enoic acid
SMILESN/C(=C\C(=O)O)CO
InChIInChI=1S/C4H7NO3/c5-3(2-6)1-4(7)8/h1,6H,2,5H2,(H,7,8)/b3-1-
InChIKeyUOYOCQOBJOPMGV-IWQZZHSRSA-N
XLogP-1.09
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-aminopent-2-enoic acid
CID 21472497
(E)-3-amino-5,5,5-trifluoropent-2-enoic acid
CID 87795734
(E)-3,4-diamino-4-oxobut-2-enoic acid
CID 59912426
prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate
CID 87325804
azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid
CID 173371480
(E)-3-amino-3-sulfanylprop-2-enoic acid
CID 143228995
(E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid
CID 174851391
bis((E)-but-2-enedioic acid);hydrazine
CID 174490734
(Z)-2-aminobut-2-ene-1,4-diol
CID 58594730
guanidine;2-hydroxyacetic acid;hydrochloride
CID 175041207
3-(hydroxymethyl)-4-(methylamino)-4-oxobut-2-enoic acid
CID 154089719
(Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid
CID 163903255

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4-hydroxybut-2-enoic acid?
The IUPAC name of (Z)-3-amino-4-hydroxybut-2-enoic acid (CID 55291219) is (Z)-3-amino-4-hydroxybut-2-enoic acid.
What is the SMILES notation for (Z)-3-amino-4-hydroxybut-2-enoic acid?
The canonical SMILES for (Z)-3-amino-4-hydroxybut-2-enoic acid is N/C(=C\C(=O)O)CO.
What is the InChIKey of (Z)-3-amino-4-hydroxybut-2-enoic acid?
The InChIKey is UOYOCQOBJOPMGV-IWQZZHSRSA-N. The full InChI is InChI=1S/C4H7NO3/c5-3(2-6)1-4(7)8/h1,6H,2,5H2,(H,7,8)/b3-1-.
What are the key properties of (Z)-3-amino-4-hydroxybut-2-enoic acid?
(Z)-3-amino-4-hydroxybut-2-enoic acid has a molecular weight of 117.10 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4-hydroxybut-2-enoic acid is sourced from PubChem (CID 55291219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).