CID 87469111

C6H11NNaO5 — CID 87469111

IUPAC—
SMILESO=C(O)CN(CCO)CC(=O)O.[Na]
InChIInChI=1S/C6H11NO5.Na/c8-2-1-7(3-5(9)10)4-6(11)12;/h8H,1-4H2,(H,9,10)(H,11,12);
InChIKeyIDOZIFCTUFCBMQ-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.93
Rot. Bonds6

About CID 87469111

CID 87469111 (PubChem CID 87469111) has the molecular formula C6H11NNaO5 and a molecular weight of 200.15 g/mol.

Molecular Properties

Compound NameCID 87469111
PubChem CID87469111
Molecular FormulaC6H11NNaO5
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name—
SMILESO=C(O)CN(CCO)CC(=O)O.[Na]
InChIInChI=1S/C6H11NO5.Na/c8-2-1-7(3-5(9)10)4-6(11)12;/h8H,1-4H2,(H,9,10)(H,11,12);
InChIKeyIDOZIFCTUFCBMQ-UHFFFAOYSA-N
XLogP-1.93
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

hexasodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173154313
azanium;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;iron
CID 163360235
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid
CID 138080551
trisodium;tris(2-[carboxymethyl-[2-[carboxymethyl(2-hydroxyethyl)amino]ethyl]amino]acetate)
CID 173437538
CID 176507832
CID 176507832
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
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
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

Frequently Asked Questions

What is the IUPAC name of CID 87469111?
The IUPAC name of CID 87469111 (CID 87469111) is not available.
What is the SMILES notation for CID 87469111?
The canonical SMILES for CID 87469111 is O=C(O)CN(CCO)CC(=O)O.[Na].
What is the InChIKey of CID 87469111?
The InChIKey is IDOZIFCTUFCBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5.Na/c8-2-1-7(3-5(9)10)4-6(11)12;/h8H,1-4H2,(H,9,10)(H,11,12);.
What are the key properties of CID 87469111?
CID 87469111 has a molecular weight of 200.15 g/mol, XLogP of -1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87469111 is sourced from PubChem (CID 87469111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).