CID 176507832

C10H18N2NaO8 — CID 176507832

IUPAC—
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[H][H].[Na]
InChIInChI=1S/C10H16N2O8.Na.H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;1H
InChIKeyXOGHONRSXAQANG-UHFFFAOYSA-N
MW317.25 g/mol
LogP-2.21
Rot. Bonds11

About CID 176507832

CID 176507832 (PubChem CID 176507832) has the molecular formula C10H18N2NaO8 and a molecular weight of 317.25 g/mol.

Molecular Properties

Compound NameCID 176507832
PubChem CID176507832
Molecular FormulaC10H18N2NaO8
Molecular Weight317.25 g/mol
Exact Mass317.10
IUPAC Name—
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[H][H].[Na]
InChIInChI=1S/C10H16N2O8.Na.H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;1H
InChIKeyXOGHONRSXAQANG-UHFFFAOYSA-N
XLogP-2.21
TPSA155.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid;molecular hydrogen
CID 160537097
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron;manganese
CID 170943983
Ca-DTPA
CID 86735184
lithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 56942126

Frequently Asked Questions

What is the IUPAC name of CID 176507832?
The IUPAC name of CID 176507832 (CID 176507832) is not available.
What is the SMILES notation for CID 176507832?
The canonical SMILES for CID 176507832 is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[H][H].[Na].
What is the InChIKey of CID 176507832?
The InChIKey is XOGHONRSXAQANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.Na.H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;1H.
What are the key properties of CID 176507832?
CID 176507832 has a molecular weight of 317.25 g/mol, XLogP of -2.21, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176507832 is sourced from PubChem (CID 176507832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).