CID 131887709

C8H15NNa2O6 — CID 131887709

IUPAC—
SMILESO=C(O)CN(CCOCCO)CC(=O)O.[Na].[Na]
InChIInChI=1S/C8H15NO6.2Na/c10-2-4-15-3-1-9(5-7(11)12)6-8(13)14;;/h10H,1-6H2,(H,11,12)(H,13,14);;
InChIKeyCVXNLYWSTHJNDC-UHFFFAOYSA-N
MW267.19 g/mol
LogP-2.30
Rot. Bonds9

About CID 131887709

CID 131887709 (PubChem CID 131887709) has the molecular formula C8H15NNa2O6 and a molecular weight of 267.19 g/mol.

Molecular Properties

Compound NameCID 131887709
PubChem CID131887709
Molecular FormulaC8H15NNa2O6
Molecular Weight267.19 g/mol
Exact Mass267.07
IUPAC Name—
SMILESO=C(O)CN(CCOCCO)CC(=O)O.[Na].[Na]
InChIInChI=1S/C8H15NO6.2Na/c10-2-4-15-3-1-9(5-7(11)12)6-8(13)14;;/h10H,1-6H2,(H,11,12)(H,13,14);;
InChIKeyCVXNLYWSTHJNDC-UHFFFAOYSA-N
XLogP-2.30
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 5-2.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 145210953
2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid
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acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
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2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid
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CID 176507832
CID 176507832
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of CID 131887709?
The IUPAC name of CID 131887709 (CID 131887709) is not available.
What is the SMILES notation for CID 131887709?
The canonical SMILES for CID 131887709 is O=C(O)CN(CCOCCO)CC(=O)O.[Na].[Na].
What is the InChIKey of CID 131887709?
The InChIKey is CVXNLYWSTHJNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6.2Na/c10-2-4-15-3-1-9(5-7(11)12)6-8(13)14;;/h10H,1-6H2,(H,11,12)(H,13,14);;.
What are the key properties of CID 131887709?
CID 131887709 has a molecular weight of 267.19 g/mol, XLogP of -2.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131887709 is sourced from PubChem (CID 131887709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).