bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate

C10H18N4O10 — CID 139058986

IUPACbis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate
SMILESO=C([O-])C(=O)[O-].[NH3+]CC(=O)NCC(=O)O.[NH3+]CC(=O)NCC(=O)O
InChIInChI=1S/2C4H8N2O3.C2H2O4/c2*5-1-3(7)6-2-4(8)9;3-1(4)2(5)6/h2*1-2,5H2,(H,6,7)(H,8,9);(H,3,4)(H,5,6)
InChIKeyYMPLOOVRMYMRQM-UHFFFAOYSA-N
MW354.27 g/mol
LogP-8.66
Rot. Bonds6

About bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate

bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate (PubChem CID 139058986) has the molecular formula C10H18N4O10 and a molecular weight of 354.27 g/mol. Its IUPAC name is bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate.

Molecular Properties

Compound Namebis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate
PubChem CID139058986
Molecular FormulaC10H18N4O10
Molecular Weight354.27 g/mol
Exact Mass354.10
IUPAC Namebis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate
SMILESO=C([O-])C(=O)[O-].[NH3+]CC(=O)NCC(=O)O.[NH3+]CC(=O)NCC(=O)O
InChIInChI=1S/2C4H8N2O3.C2H2O4/c2*5-1-3(7)6-2-4(8)9;3-1(4)2(5)6/h2*1-2,5H2,(H,6,7)(H,8,9);(H,3,4)(H,5,6)
InChIKeyYMPLOOVRMYMRQM-UHFFFAOYSA-N
XLogP-8.66
TPSA268.34 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.27
LogP ≤ 5-8.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid
CID 139053959
2-[[2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 139198513
[3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium
CID 23278184
2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
2-[(2-aminoacetyl)amino]acetic acid;iron
CID 88519738
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-[(2-azaniumylacetyl)amino]prop-2-enoate
CID 36691174
(2S)-2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]-3-phenylpropanoate
CID 6993372
2-(3-nitropropanoylamino)acetic acid
CID 100916217
2-(3-deuteriopropanoylamino)acetic acid
CID 170555172
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
2-[(2-methylsulfinylacetyl)amino]acetic acid
CID 84656850

Frequently Asked Questions

What is the IUPAC name of bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate?
The IUPAC name of bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate (CID 139058986) is bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate.
What is the SMILES notation for bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate?
The canonical SMILES for bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate is O=C([O-])C(=O)[O-].[NH3+]CC(=O)NCC(=O)O.[NH3+]CC(=O)NCC(=O)O.
What is the InChIKey of bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate?
The InChIKey is YMPLOOVRMYMRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8N2O3.C2H2O4/c2*5-1-3(7)6-2-4(8)9;3-1(4)2(5)6/h2*1-2,5H2,(H,6,7)(H,8,9);(H,3,4)(H,5,6).
What are the key properties of bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate?
bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate has a molecular weight of 354.27 g/mol, XLogP of -8.66, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate is sourced from PubChem (CID 139058986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).