tris(carboxymethyl)azanium formate

C7H11NO8 — CID 140687997

IUPACtris(carboxymethyl)azanium formate
SMILESO=C(O)C[NH+](CC(=O)O)CC(=O)O.O=C[O-]
InChIInChI=1S/C6H9NO6.CH2O2/c8-4(9)1-7(2-5(10)11)3-6(12)13;2-1-3/h1-3H2,(H,8,9)(H,10,11)(H,12,13);1H,(H,2,3)
InChIKeyDZYWDCDZZNQPDJ-UHFFFAOYSA-N
MW237.16 g/mol
LogP-4.51
Rot. Bonds6

About tris(carboxymethyl)azanium formate

tris(carboxymethyl)azanium formate (PubChem CID 140687997) has the molecular formula C7H11NO8 and a molecular weight of 237.16 g/mol. Its IUPAC name is tris(carboxymethyl)azanium formate.

Molecular Properties

Compound Nametris(carboxymethyl)azanium formate
PubChem CID140687997
Molecular FormulaC7H11NO8
Molecular Weight237.16 g/mol
Exact Mass237.05
IUPAC Nametris(carboxymethyl)azanium formate
SMILESO=C(O)C[NH+](CC(=O)O)CC(=O)O.O=C[O-]
InChIInChI=1S/C6H9NO6.CH2O2/c8-4(9)1-7(2-5(10)11)3-6(12)13;2-1-3/h1-3H2,(H,8,9)(H,10,11)(H,12,13);1H,(H,2,3)
InChIKeyDZYWDCDZZNQPDJ-UHFFFAOYSA-N
XLogP-4.51
TPSA156.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.16
LogP ≤ 5-4.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tris(carboxymethyl)azanium acetate
CID 90094500
bis[2-[bis(carboxymethyl)amino]ethyl]-(carboxymethyl)azanium formate
CID 90094298
hydrogen carbonate;bis(triethylazanium);formate
CID 159663993
potassium;carbonic acid;formate
CID 87495479
sodium;hexanedioic acid;formate
CID 158504791
2-[bis(carboxymethyl)amino]ethyl-bis(carboxymethyl)azanium bromide
CID 90095080
bis(iron(2+));tetraformate
CID 159382291
plutonium triformate
CID 159598703
zirconium formate
CID 3015525
hexasodium;hexaformate
CID 22390259
gallium triformate
CID 23199529
(2-ethoxy-2-oxoethyl)-dimethylazanium formate
CID 158266450

Frequently Asked Questions

What is the IUPAC name of tris(carboxymethyl)azanium formate?
The IUPAC name of tris(carboxymethyl)azanium formate (CID 140687997) is tris(carboxymethyl)azanium formate.
What is the SMILES notation for tris(carboxymethyl)azanium formate?
The canonical SMILES for tris(carboxymethyl)azanium formate is O=C(O)C[NH+](CC(=O)O)CC(=O)O.O=C[O-].
What is the InChIKey of tris(carboxymethyl)azanium formate?
The InChIKey is DZYWDCDZZNQPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO6.CH2O2/c8-4(9)1-7(2-5(10)11)3-6(12)13;2-1-3/h1-3H2,(H,8,9)(H,10,11)(H,12,13);1H,(H,2,3).
What are the key properties of tris(carboxymethyl)azanium formate?
tris(carboxymethyl)azanium formate has a molecular weight of 237.16 g/mol, XLogP of -4.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carboxymethyl)azanium formate is sourced from PubChem (CID 140687997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).