CID 173009716

C10H20AlN2O8 — CID 173009716

IUPAC—
SMILESNCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[Al]
InChIInChI=1S/2C4H6O4.C2H8N2.Al/c2*5-3(6)1-2-4(7)8;3-1-2-4;/h2*1-2H2,(H,5,6)(H,7,8);1-4H2;
InChIKeyFKZWMGFRKXCIHO-UHFFFAOYSA-N
MW323.26 g/mol
LogP-1.61
Rot. Bonds7

About CID 173009716

CID 173009716 (PubChem CID 173009716) has the molecular formula C10H20AlN2O8 and a molecular weight of 323.26 g/mol.

Molecular Properties

Compound NameCID 173009716
PubChem CID173009716
Molecular FormulaC10H20AlN2O8
Molecular Weight323.26 g/mol
Exact Mass323.10
IUPAC Name—
SMILESNCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[Al]
InChIInChI=1S/2C4H6O4.C2H8N2.Al/c2*5-3(6)1-2-4(7)8;3-1-2-4;/h2*1-2H2,(H,5,6)(H,7,8);1-4H2;
InChIKeyFKZWMGFRKXCIHO-UHFFFAOYSA-N
XLogP-1.61
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.26
LogP ≤ 5-1.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719
azane;bis(butanedioic acid);ethane-1,2-diamine
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butanedioic acid;ethane-1,2-diamine;pentanedioic acid
CID 158203202
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
3-(15N)azanyl(113C)propanoic acid
CID 11366951
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;difluoromethane
CID 159584710
bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
carbonic acid;ethane-1,2-diamine
CID 22445535
bis(butanedioic acid);silane
CID 173419629
carbonic acid;bis(ethane-1,2-diamine)
CID 174908365

Frequently Asked Questions

What is the IUPAC name of CID 173009716?
The IUPAC name of CID 173009716 (CID 173009716) is not available.
What is the SMILES notation for CID 173009716?
The canonical SMILES for CID 173009716 is NCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[Al].
What is the InChIKey of CID 173009716?
The InChIKey is FKZWMGFRKXCIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O4.C2H8N2.Al/c2*5-3(6)1-2-4(7)8;3-1-2-4;/h2*1-2H2,(H,5,6)(H,7,8);1-4H2;.
What are the key properties of CID 173009716?
CID 173009716 has a molecular weight of 323.26 g/mol, XLogP of -1.61, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173009716 is sourced from PubChem (CID 173009716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).