3,3-dihydroxy-2-methylprop-2-enamide

C4H7NO3 — CID 23369191

IUPAC3,3-dihydroxy-2-methylprop-2-enamide
SMILESCC(C(N)=O)=C(O)O
InChIInChI=1S/C4H7NO3/c1-2(3(5)6)4(7)8/h7-8H,1H3,(H2,5,6)
InChIKeyVAQFZWMCIOSGFT-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.18
Rot. Bonds1

About 3,3-dihydroxy-2-methylprop-2-enamide

3,3-dihydroxy-2-methylprop-2-enamide (PubChem CID 23369191) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 3,3-dihydroxy-2-methylprop-2-enamide.

Molecular Properties

Compound Name3,3-dihydroxy-2-methylprop-2-enamide
PubChem CID23369191
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name3,3-dihydroxy-2-methylprop-2-enamide
SMILESCC(C(N)=O)=C(O)O
InChIInChI=1S/C4H7NO3/c1-2(3(5)6)4(7)8/h7-8H,1H3,(H2,5,6)
InChIKeyVAQFZWMCIOSGFT-UHFFFAOYSA-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

(E)-3-hydroxy-2-methylbut-2-enamide
CID 87140433
prop-1-ene-1,1,2-tricarboxamide
CID 155668965
acetamide
CID 139024037
3,3-dihydrazinyl-2-methylprop-2-enamide
CID 163555683
4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide
CID 22023492
3-(dimethylamino)-2-methylbut-2-enamide
CID 140503837
(E)-3-methoxy-2-methylbut-2-enamide
CID 55284643
acetic acid;carbamic acid;silane
CID 174514013
3-amino-2-methylbut-2-enoic acid
CID 6713463
acetamide;titanium
CID 159756610
acetamide;bismuthane
CID 174469104
acetamide;alumane
CID 174673000

Frequently Asked Questions

What is the IUPAC name of 3,3-dihydroxy-2-methylprop-2-enamide?
The IUPAC name of 3,3-dihydroxy-2-methylprop-2-enamide (CID 23369191) is 3,3-dihydroxy-2-methylprop-2-enamide.
What is the SMILES notation for 3,3-dihydroxy-2-methylprop-2-enamide?
The canonical SMILES for 3,3-dihydroxy-2-methylprop-2-enamide is CC(C(N)=O)=C(O)O.
What is the InChIKey of 3,3-dihydroxy-2-methylprop-2-enamide?
The InChIKey is VAQFZWMCIOSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-2(3(5)6)4(7)8/h7-8H,1H3,(H2,5,6).
What are the key properties of 3,3-dihydroxy-2-methylprop-2-enamide?
3,3-dihydroxy-2-methylprop-2-enamide 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 3,3-dihydroxy-2-methylprop-2-enamide is sourced from PubChem (CID 23369191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).