(E)-2-amino-3-hydroxybut-2-enoic acid

C4H7NO3 — CID 54736301

IUPAC(E)-2-amino-3-hydroxybut-2-enoic acid
SMILESC/C(O)=C(\N)C(=O)O
InChIInChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h6H,5H2,1H3,(H,7,8)/b3-2+
InChIKeyVACMTKGMNYPSRC-NSCUHMNNSA-N
MW117.10 g/mol
LogP-0.18
Rot. Bonds1

About (E)-2-amino-3-hydroxybut-2-enoic acid

(E)-2-amino-3-hydroxybut-2-enoic acid (PubChem CID 54736301) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is (E)-2-amino-3-hydroxybut-2-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-3-hydroxybut-2-enoic acid
PubChem CID54736301
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name(E)-2-amino-3-hydroxybut-2-enoic acid
SMILESC/C(O)=C(\N)C(=O)O
InChIInChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h6H,5H2,1H3,(H,7,8)/b3-2+
InChIKeyVACMTKGMNYPSRC-NSCUHMNNSA-N
XLogP-0.18
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.18
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'}

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Related Compounds

2-amino-3-methylbut-2-enoic acid
CID 15383277
(E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid
CID 156563819
acetamide
CID 139024037
2-amino-3-methyl-4-oxooct-2-enoic acid
CID 173202260
2-amino-3-methyl-4-oxo-4-phenylbut-2-enoic acid
CID 173202167
acetic acid;carbamic acid;silane
CID 174514013
3-amino-2-methylbut-2-enoic acid
CID 6713463
(E)-3-hydroxy-2-methylbut-2-enamide
CID 87140433
3-aminobut-2-en-2-ol
CID 76571458
acetamide;titanium
CID 159756610
acetamide;alumane
CID 174673000
acetamide;bismuthane
CID 174469104

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-3-hydroxybut-2-enoic acid?
The IUPAC name of (E)-2-amino-3-hydroxybut-2-enoic acid (CID 54736301) is (E)-2-amino-3-hydroxybut-2-enoic acid.
What is the SMILES notation for (E)-2-amino-3-hydroxybut-2-enoic acid?
The canonical SMILES for (E)-2-amino-3-hydroxybut-2-enoic acid is C/C(O)=C(\N)C(=O)O.
What is the InChIKey of (E)-2-amino-3-hydroxybut-2-enoic acid?
The InChIKey is VACMTKGMNYPSRC-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h6H,5H2,1H3,(H,7,8)/b3-2+.
What are the key properties of (E)-2-amino-3-hydroxybut-2-enoic acid?
(E)-2-amino-3-hydroxybut-2-enoic acid has a molecular weight of 117.10 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-hydroxybut-2-enoic acid is sourced from PubChem (CID 54736301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).