CID 131881711

C10H16K4N2O8 — CID 131881711

IUPAC—
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[K].[K].[K].[K]
InChIInChI=1S/C10H16N2O8.4K/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);;;;
InChIKeyONATYSLUCORNRQ-UHFFFAOYSA-N
MW448.64 g/mol
LogP-3.59
Rot. Bonds11

About CID 131881711

CID 131881711 (PubChem CID 131881711) has the molecular formula C10H16K4N2O8 and a molecular weight of 448.64 g/mol.

Molecular Properties

Compound NameCID 131881711
PubChem CID131881711
Molecular FormulaC10H16K4N2O8
Molecular Weight448.64 g/mol
Exact Mass447.95
IUPAC Name—
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[K].[K].[K].[K]
InChIInChI=1S/C10H16N2O8.4K/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);;;;
InChIKeyONATYSLUCORNRQ-UHFFFAOYSA-N
XLogP-3.59
TPSA155.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.64
LogP ≤ 5-3.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
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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
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron;manganese
CID 170943983
Ca-DTPA
CID 86735184
diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide
CID 172753186
lithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 56942126
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686

Frequently Asked Questions

What is the IUPAC name of CID 131881711?
The IUPAC name of CID 131881711 (CID 131881711) is not available.
What is the SMILES notation for CID 131881711?
The canonical SMILES for CID 131881711 is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[K].[K].[K].[K].
What is the InChIKey of CID 131881711?
The InChIKey is ONATYSLUCORNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.4K/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);;;;.
What are the key properties of CID 131881711?
CID 131881711 has a molecular weight of 448.64 g/mol, XLogP of -3.59, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131881711 is sourced from PubChem (CID 131881711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).