(2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)

C16H13CrN3O8 — CID 175782896

IUPAC(2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Cr+4]
InChIInChI=1S/2C6H5NO2.C4H7NO4.Cr/c2*8-6(9)5-2-1-3-7-4-5;5-2(4(8)9)1-3(6)7;/h2*1-4H,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9);/q;;;+4/p-4/t;;2-;/m..0./s1
InChIKeyNVBPWCOTIGMAEN-MNTSKLTCSA-J
MW427.29 g/mol
LogP-4.91
Rot. Bonds5

About (2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)

(2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate) (PubChem CID 175782896) has the molecular formula C16H13CrN3O8 and a molecular weight of 427.29 g/mol. Its IUPAC name is (2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate).

Molecular Properties

Compound Name(2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)
PubChem CID175782896
Molecular FormulaC16H13CrN3O8
Molecular Weight427.29 g/mol
Exact Mass427.01
IUPAC Name(2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Cr+4]
InChIInChI=1S/2C6H5NO2.C4H7NO4.Cr/c2*8-6(9)5-2-1-3-7-4-5;5-2(4(8)9)1-3(6)7;/h2*1-4H,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9);/q;;;+4/p-4/t;;2-;/m..0./s1
InChIKeyNVBPWCOTIGMAEN-MNTSKLTCSA-J
XLogP-4.91
TPSA212.32 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 5-4.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

neodymium(3+);pyridine-3-carboxylate
CID 23619365
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate
CID 22353992
CID 21127296
CID 21127296
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
2,2-diamino-1-pyridin-3-ylethanone
CID 174594045
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
magnesium;bis(2-aminobutanedioate);hydron
CID 78170001
[(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate
CID 169075412
5-methylpyridin-1-ium-2-amine;pyridine-3-carboxylate
CID 139078518
2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one
CID 116593749
3-amino-1-pyridin-3-ylhexan-1-one
CID 116607864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)?
The IUPAC name of (2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate) (CID 175782896) is (2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate).
What is the SMILES notation for (2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)?
The canonical SMILES for (2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate) is N[C@@H](CC(=O)[O-])C(=O)[O-].O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Cr+4].
What is the InChIKey of (2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)?
The InChIKey is NVBPWCOTIGMAEN-MNTSKLTCSA-J. The full InChI is InChI=1S/2C6H5NO2.C4H7NO4.Cr/c2*8-6(9)5-2-1-3-7-4-5;5-2(4(8)9)1-3(6)7;/h2*1-4H,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9);/q;;;+4/p-4/t;;2-;/m..0./s1.
What are the key properties of (2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)?
(2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate) has a molecular weight of 427.29 g/mol, XLogP of -4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate) is sourced from PubChem (CID 175782896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).