disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate

C7H9NNa2O9 — CID 159023681

IUPACdisodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate
SMILESNCC(=O)O.O=C(O)/C=C/C(=O)O.O=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C4H4O4.C2H5NO2.CH2O3.2Na/c5-3(6)1-2-4(7)8;3-1-2(4)5;2-1(3)4;;/h1-2H,(H,5,6)(H,7,8);1,3H2,(H,4,5);(H2,2,3,4);;/q;;;2*+1/p-2/b2-1+;;;;
InChIKeyZKSNTFGEMCNODJ-MBCFVHIPSA-L
MW297.13 g/mol
LogP-9.70
Rot. Bonds3

About disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate

disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate (PubChem CID 159023681) has the molecular formula C7H9NNa2O9 and a molecular weight of 297.13 g/mol. Its IUPAC name is disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate.

Molecular Properties

Compound Namedisodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate
PubChem CID159023681
Molecular FormulaC7H9NNa2O9
Molecular Weight297.13 g/mol
Exact Mass297.01
IUPAC Namedisodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate
SMILESNCC(=O)O.O=C(O)/C=C/C(=O)O.O=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C4H4O4.C2H5NO2.CH2O3.2Na/c5-3(6)1-2-4(7)8;3-1-2(4)5;2-1(3)4;;/h1-2H,(H,5,6)(H,7,8);1,3H2,(H,4,5);(H2,2,3,4);;/q;;;2*+1/p-2/b2-1+;;;;
InChIKeyZKSNTFGEMCNODJ-MBCFVHIPSA-L
XLogP-9.70
TPSA201.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 5-9.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

disodium;2-aminoacetic acid;hydrogen carbonate;hydroxide
CID 174055066
sodium;2-aminoacetic acid;bromide
CID 174820906
(E)-5-amino-4-oxopent-2-enoic acid
CID 23437125
disodium;2-aminoacetate;2-aminoacetic acid;methanol
CID 174881838
(E)-but-2-enedioic acid;ethanamine
CID 173189224
2-aminoacetate;2-aminoacetic acid;copper(1+)
CID 156597297
2-aminoacetic acid;(E)-4-ethoxy-4-oxobut-2-enoic acid
CID 5358901
2-aminoacetic acid;cadmium
CID 87269769
bis((E)-but-2-enedioic acid);hydrazine
CID 174490734
bis(2-aminoacetic acid);copper
CID 50912486
(2-aminoacetic acid);carbonic acid
CID 173312624
magnesium;2-aminoacetic acid;diacetate
CID 172709967

Frequently Asked Questions

What is the IUPAC name of disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate?
The IUPAC name of disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate (CID 159023681) is disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate.
What is the SMILES notation for disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate?
The canonical SMILES for disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate is NCC(=O)O.O=C(O)/C=C/C(=O)O.O=C([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate?
The InChIKey is ZKSNTFGEMCNODJ-MBCFVHIPSA-L. The full InChI is InChI=1S/C4H4O4.C2H5NO2.CH2O3.2Na/c5-3(6)1-2-4(7)8;3-1-2(4)5;2-1(3)4;;/h1-2H,(H,5,6)(H,7,8);1,3H2,(H,4,5);(H2,2,3,4);;/q;;;2*+1/p-2/b2-1+;;;;.
What are the key properties of disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate?
disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate has a molecular weight of 297.13 g/mol, XLogP of -9.70, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate is sourced from PubChem (CID 159023681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).