tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium

C20H28N4O12Ti — CID 56843342

IUPACtetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium
SMILESO=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.[Ti]
InChIInChI=1S/4C5H7NO3.Ti/c4*7-4-2-1-3(6-4)5(8)9;/h4*3H,1-2H2,(H,6,7)(H,8,9);/t4*3-;/m0000./s1
InChIKeyAYZXCPVTJBNYMF-GWJKCLFXSA-N
MW564.33 g/mol
LogP-2.60
Rot. Bonds4

About tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium

tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium (PubChem CID 56843342) has the molecular formula C20H28N4O12Ti and a molecular weight of 564.33 g/mol. Its IUPAC name is tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium.

Molecular Properties

Compound Nametetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium
PubChem CID56843342
Molecular FormulaC20H28N4O12Ti
Molecular Weight564.33 g/mol
Exact Mass564.12
IUPAC Nametetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium
SMILESO=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1.[Ti]
InChIInChI=1S/4C5H7NO3.Ti/c4*7-4-2-1-3(6-4)5(8)9;/h4*3H,1-2H2,(H,6,7)(H,8,9);/t4*3-;/m0000./s1
InChIKeyAYZXCPVTJBNYMF-GWJKCLFXSA-N
XLogP-2.60
TPSA265.60 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.33
LogP ≤ 5-2.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium?
The IUPAC name of tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium (CID 56843342) is tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium.
What is the SMILES notation for tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium?
The canonical SMILES for tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium 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.O=C1CC[C@@H](C(=O)O)N1.[Ti].
What is the InChIKey of tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium?
The InChIKey is AYZXCPVTJBNYMF-GWJKCLFXSA-N. The full InChI is InChI=1S/4C5H7NO3.Ti/c4*7-4-2-1-3(6-4)5(8)9;/h4*3H,1-2H2,(H,6,7)(H,8,9);/t4*3-;/m0000./s1.
What are the key properties of tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium?
tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium has a molecular weight of 564.33 g/mol, XLogP of -2.60, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2S)-5-oxopyrrolidine-2-carboxylic acid);titanium is sourced from PubChem (CID 56843342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).