tris((2S)-2-amino-3-methylbutanoic acid);chromium

C15H33CrN3O6 — CID 156700513

IUPACtris((2S)-2-amino-3-methylbutanoic acid);chromium
SMILESCC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.[Cr]
InChIInChI=1S/3C5H11NO2.Cr/c3*1-3(2)4(6)5(7)8;/h3*3-4H,6H2,1-2H3,(H,7,8);/t3*4-;/m000./s1
InChIKeyUZWJZBRSSZTTKR-FOIRCHMTSA-N
MW403.44 g/mol
LogP0.16
Rot. Bonds6

About tris((2S)-2-amino-3-methylbutanoic acid);chromium

tris((2S)-2-amino-3-methylbutanoic acid);chromium (PubChem CID 156700513) has the molecular formula C15H33CrN3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is tris((2S)-2-amino-3-methylbutanoic acid);chromium.

Molecular Properties

Compound Nametris((2S)-2-amino-3-methylbutanoic acid);chromium
PubChem CID156700513
Molecular FormulaC15H33CrN3O6
Molecular Weight403.44 g/mol
Exact Mass403.18
IUPAC Nametris((2S)-2-amino-3-methylbutanoic acid);chromium
SMILESCC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.[Cr]
InChIInChI=1S/3C5H11NO2.Cr/c3*1-3(2)4(6)5(7)8;/h3*3-4H,6H2,1-2H3,(H,7,8);/t3*4-;/m000./s1
InChIKeyUZWJZBRSSZTTKR-FOIRCHMTSA-N
XLogP0.16
TPSA189.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 50.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
(2S)-2-amino-3-methylbutanoic acid;formic acid
CID 160949818
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 146265314

Frequently Asked Questions

What is the IUPAC name of tris((2S)-2-amino-3-methylbutanoic acid);chromium?
The IUPAC name of tris((2S)-2-amino-3-methylbutanoic acid);chromium (CID 156700513) is tris((2S)-2-amino-3-methylbutanoic acid);chromium.
What is the SMILES notation for tris((2S)-2-amino-3-methylbutanoic acid);chromium?
The canonical SMILES for tris((2S)-2-amino-3-methylbutanoic acid);chromium is CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.[Cr].
What is the InChIKey of tris((2S)-2-amino-3-methylbutanoic acid);chromium?
The InChIKey is UZWJZBRSSZTTKR-FOIRCHMTSA-N. The full InChI is InChI=1S/3C5H11NO2.Cr/c3*1-3(2)4(6)5(7)8;/h3*3-4H,6H2,1-2H3,(H,7,8);/t3*4-;/m000./s1.
What are the key properties of tris((2S)-2-amino-3-methylbutanoic acid);chromium?
tris((2S)-2-amino-3-methylbutanoic acid);chromium has a molecular weight of 403.44 g/mol, XLogP of 0.16, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris((2S)-2-amino-3-methylbutanoic acid);chromium is sourced from PubChem (CID 156700513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).