disodium;2-aminopentanedioate;ethane-1,2-diol

C7H13NNa2O6 — CID 174730127

IUPACdisodium;2-aminopentanedioate;ethane-1,2-diol
SMILESNC(CCC(=O)[O-])C(=O)[O-].OCCO.[Na+].[Na+]
InChIInChI=1S/C5H9NO4.C2H6O2.2Na/c6-3(5(9)10)1-2-4(7)8;3-1-2-4;;/h3H,1-2,6H2,(H,7,8)(H,9,10);3-4H,1-2H2;;/q;;2*+1/p-2
InChIKeyLRIKLEMZFWSYKT-UHFFFAOYSA-L
MW253.16 g/mol
LogP-10.43
Rot. Bonds5

About disodium;2-aminopentanedioate;ethane-1,2-diol

disodium;2-aminopentanedioate;ethane-1,2-diol (PubChem CID 174730127) has the molecular formula C7H13NNa2O6 and a molecular weight of 253.16 g/mol. Its IUPAC name is disodium;2-aminopentanedioate;ethane-1,2-diol.

Molecular Properties

Compound Namedisodium;2-aminopentanedioate;ethane-1,2-diol
PubChem CID174730127
Molecular FormulaC7H13NNa2O6
Molecular Weight253.16 g/mol
Exact Mass253.05
IUPAC Namedisodium;2-aminopentanedioate;ethane-1,2-diol
SMILESNC(CCC(=O)[O-])C(=O)[O-].OCCO.[Na+].[Na+]
InChIInChI=1S/C5H9NO4.C2H6O2.2Na/c6-3(5(9)10)1-2-4(7)8;3-1-2-4;;/h3H,1-2,6H2,(H,7,8)(H,9,10);3-4H,1-2H2;;/q;;2*+1/p-2
InChIKeyLRIKLEMZFWSYKT-UHFFFAOYSA-L
XLogP-10.43
TPSA146.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 5-10.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757
strontium;(2R)-2-aminopentanedioate;hydrate
CID 141288425
strontium;(2S)-2-aminopentanedioate;pentahydrate
CID 172813696
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CID 91826886

Frequently Asked Questions

What is the IUPAC name of disodium;2-aminopentanedioate;ethane-1,2-diol?
The IUPAC name of disodium;2-aminopentanedioate;ethane-1,2-diol (CID 174730127) is disodium;2-aminopentanedioate;ethane-1,2-diol.
What is the SMILES notation for disodium;2-aminopentanedioate;ethane-1,2-diol?
The canonical SMILES for disodium;2-aminopentanedioate;ethane-1,2-diol is NC(CCC(=O)[O-])C(=O)[O-].OCCO.[Na+].[Na+].
What is the InChIKey of disodium;2-aminopentanedioate;ethane-1,2-diol?
The InChIKey is LRIKLEMZFWSYKT-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H9NO4.C2H6O2.2Na/c6-3(5(9)10)1-2-4(7)8;3-1-2-4;;/h3H,1-2,6H2,(H,7,8)(H,9,10);3-4H,1-2H2;;/q;;2*+1/p-2.
What are the key properties of disodium;2-aminopentanedioate;ethane-1,2-diol?
disodium;2-aminopentanedioate;ethane-1,2-diol has a molecular weight of 253.16 g/mol, XLogP of -10.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-aminopentanedioate;ethane-1,2-diol is sourced from PubChem (CID 174730127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).