chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)

C15H21CrN3O9 — CID 170846266

IUPACchromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
SMILESO=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.[Cr]
InChIInChI=1S/3C5H7NO3.Cr/c3*7-4-2-1-3(6-4)5(8)9;/h3*3H,1-2H2,(H,6,7)(H,8,9);/t3*3-;/m000./s1
InChIKeyJXFBFBVMICIXCK-ZRIQBPNSSA-N
MW439.34 g/mol
LogP-1.95
Rot. Bonds3

About chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)

chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid) (PubChem CID 170846266) has the molecular formula C15H21CrN3O9 and a molecular weight of 439.34 g/mol. Its IUPAC name is chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid).

Molecular Properties

Compound Namechromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
PubChem CID170846266
Molecular FormulaC15H21CrN3O9
Molecular Weight439.34 g/mol
Exact Mass439.07
IUPAC Namechromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
SMILESO=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.[Cr]
InChIInChI=1S/3C5H7NO3.Cr/c3*7-4-2-1-3(6-4)5(8)9;/h3*3H,1-2H2,(H,6,7)(H,8,9);/t3*3-;/m000./s1
InChIKeyJXFBFBVMICIXCK-ZRIQBPNSSA-N
XLogP-1.95
TPSA199.20 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 5-1.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)?
The IUPAC name of chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid) (CID 170846266) is chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid).
What is the SMILES notation for chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)?
The canonical SMILES for chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid) is O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.[Cr].
What is the InChIKey of chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)?
The InChIKey is JXFBFBVMICIXCK-ZRIQBPNSSA-N. The full InChI is InChI=1S/3C5H7NO3.Cr/c3*7-4-2-1-3(6-4)5(8)9;/h3*3H,1-2H2,(H,6,7)(H,8,9);/t3*3-;/m000./s1.
What are the key properties of chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)?
chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid) has a molecular weight of 439.34 g/mol, XLogP of -1.95, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid) is sourced from PubChem (CID 170846266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).