tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide

C14H21N2Na4O8- — CID 154597232

IUPACtetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide
SMILESO=[C-]CCN(CCC(=O)[O-])CCN(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[OH-]
InChIInChI=1S/C14H23N2O7.4Na.H2O/c17-11-1-5-15(6-2-12(18)19)9-10-16(7-3-13(20)21)8-4-14(22)23;;;;;/h1-10H2,(H,18,19)(H,20,21)(H,22,23);;;;;1H2/q-1;4*+1;/p-4
InChIKeyNFGMFSYKCGZTOX-UHFFFAOYSA-J
MW437.29 g/mol
LogP-16.65
Rot. Bonds15

About tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide

tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide (PubChem CID 154597232) has the molecular formula C14H21N2Na4O8- and a molecular weight of 437.29 g/mol. Its IUPAC name is tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide.

Molecular Properties

Compound Nametetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide
PubChem CID154597232
Molecular FormulaC14H21N2Na4O8-
Molecular Weight437.29 g/mol
Exact Mass437.09
IUPAC Nametetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide
SMILESO=[C-]CCN(CCC(=O)[O-])CCN(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[OH-]
InChIInChI=1S/C14H23N2O7.4Na.H2O/c17-11-1-5-15(6-2-12(18)19)9-10-16(7-3-13(20)21)8-4-14(22)23;;;;;/h1-10H2,(H,18,19)(H,20,21)(H,22,23);;;;;1H2/q-1;4*+1;/p-4
InChIKeyNFGMFSYKCGZTOX-UHFFFAOYSA-J
XLogP-16.65
TPSA173.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 5-16.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

bis(3-(dipropylamino)propanoate);nickel(2+)
CID 88802202
3-(dipropylamino)propanoate
CID 23175384
bis(3-(dioctylamino)propanoate);nickel(2+)
CID 88802557
sodium 3-[2-carboxylatoethyl(tetradecyl)amino]propanoate
CID 91864467
sodium 3-[di(tridecyl)amino]propanoate
CID 101313710
hexasodium;bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);nickel(2+)
CID 159433382
trisodium;3-[2-carboxylatoethyl-[2-[2-carboxylatoethyl(2-hydroxyhex-5-enyl)amino]ethyl]amino]propanoate
CID 101285137
lithium 3-[di(tetracosyl)amino]propanoate
CID 101313807
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
potassium 3-(didecylamino)propanoate
CID 101313684
3-bromopropanoate
CID 6993466
magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918

Frequently Asked Questions

What is the IUPAC name of tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide?
The IUPAC name of tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide (CID 154597232) is tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide.
What is the SMILES notation for tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide?
The canonical SMILES for tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide is O=[C-]CCN(CCC(=O)[O-])CCN(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[OH-].
What is the InChIKey of tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide?
The InChIKey is NFGMFSYKCGZTOX-UHFFFAOYSA-J. The full InChI is InChI=1S/C14H23N2O7.4Na.H2O/c17-11-1-5-15(6-2-12(18)19)9-10-16(7-3-13(20)21)8-4-14(22)23;;;;;/h1-10H2,(H,18,19)(H,20,21)(H,22,23);;;;;1H2/q-1;4*+1;/p-4.
What are the key properties of tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide?
tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide has a molecular weight of 437.29 g/mol, XLogP of -16.65, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide is sourced from PubChem (CID 154597232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).