sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid

C6H9NaO5 — CID 174879877

IUPACsodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid
SMILESC=CC(=O)OC(C)(O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H8O5.Na.H/c1-3-4(7)11-6(2,10)5(8)9;;/h3,10H,1H2,2H3,(H,8,9);;/q;+1;-1
InChIKeyOSSHPQQPLSQMKO-UHFFFAOYSA-N
MW184.12 g/mol
LogP-3.37
Rot. Bonds3

About sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid

sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid (PubChem CID 174879877) has the molecular formula C6H9NaO5 and a molecular weight of 184.12 g/mol. Its IUPAC name is sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid.

Molecular Properties

Compound Namesodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid
PubChem CID174879877
Molecular FormulaC6H9NaO5
Molecular Weight184.12 g/mol
Exact Mass184.03
IUPAC Namesodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid
SMILESC=CC(=O)OC(C)(O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H8O5.Na.H/c1-3-4(7)11-6(2,10)5(8)9;;/h3,10H,1H2,2H3,(H,8,9);;/q;+1;-1
InChIKeyOSSHPQQPLSQMKO-UHFFFAOYSA-N
XLogP-3.37
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 5-3.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
(2,3-dihydroxy-3-methylbutan-2-yl) prop-2-enoate
CID 177311125
ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate
CID 90238503
tert-butyl prop-2-enoate;methanol
CID 174833528
tert-butyl prop-2-enoate;carbamic acid
CID 162149452
2-cyanopropan-2-yl prop-2-enoate
CID 87192601
(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl) prop-2-enoate
CID 139994874
2-hydroxy-2-pent-2-enoyloxypropanoic acid
CID 151899830

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid?
The IUPAC name of sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid (CID 174879877) is sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid.
What is the SMILES notation for sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid?
The canonical SMILES for sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid is C=CC(=O)OC(C)(O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid?
The InChIKey is OSSHPQQPLSQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5.Na.H/c1-3-4(7)11-6(2,10)5(8)9;;/h3,10H,1H2,2H3,(H,8,9);;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid?
sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid has a molecular weight of 184.12 g/mol, XLogP of -3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid is sourced from PubChem (CID 174879877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).