2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate)

C14H12CrN3O6 — CID 11726609

IUPAC2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate)
SMILESNCC(=O)[O-].O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Cr+3]
InChIInChI=1S/2C6H5NO2.C2H5NO2.Cr/c2*8-6(9)5-2-1-3-7-4-5;3-1-2(4)5;/h2*1-4H,(H,8,9);1,3H2,(H,4,5);/q;;;+3/p-3
InChIKeyMUAPNDPCKAUEET-UHFFFAOYSA-K
MW370.26 g/mol
LogP-3.42
Rot. Bonds3

About 2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate)

2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate) (PubChem CID 11726609) has the molecular formula C14H12CrN3O6 and a molecular weight of 370.26 g/mol. Its IUPAC name is 2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate).

Molecular Properties

Compound Name2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate)
PubChem CID11726609
Molecular FormulaC14H12CrN3O6
Molecular Weight370.26 g/mol
Exact Mass370.01
IUPAC Name2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate)
SMILESNCC(=O)[O-].O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Cr+3]
InChIInChI=1S/2C6H5NO2.C2H5NO2.Cr/c2*8-6(9)5-2-1-3-7-4-5;3-1-2(4)5;/h2*1-4H,(H,8,9);1,3H2,(H,4,5);/q;;;+3/p-3
InChIKeyMUAPNDPCKAUEET-UHFFFAOYSA-K
XLogP-3.42
TPSA172.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 5-3.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate)?
The IUPAC name of 2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate) (CID 11726609) is 2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate).
What is the SMILES notation for 2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate)?
The canonical SMILES for 2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate) is NCC(=O)[O-].O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Cr+3].
What is the InChIKey of 2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate)?
The InChIKey is MUAPNDPCKAUEET-UHFFFAOYSA-K. The full InChI is InChI=1S/2C6H5NO2.C2H5NO2.Cr/c2*8-6(9)5-2-1-3-7-4-5;3-1-2(4)5;/h2*1-4H,(H,8,9);1,3H2,(H,4,5);/q;;;+3/p-3.
What are the key properties of 2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate)?
2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate) has a molecular weight of 370.26 g/mol, XLogP of -3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetate;chromium(3+);bis(pyridine-3-carboxylate) is sourced from PubChem (CID 11726609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).