3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium

C33H62N4O11V — CID 159114894

IUPAC3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium
SMILESC.CCCC(CC(N)=O)CC(=O)O.CCCC1CC(=O)NC(=O)C1.CCC[C@@H](CC(N)=O)CC(=O)O.CCC[C@H](CC(N)=O)CC(=O)O.[V]
InChIInChI=1S/3C8H15NO3.C8H13NO2.CH4.V/c3*1-2-3-6(4-7(9)10)5-8(11)12;1-2-3-6-4-7(10)9-8(11)5-6;;/h3*6H,2-5H2,1H3,(H2,9,10)(H,11,12);6H,2-5H2,1H3,(H,9,10,11);1H4;/t2*6-;;;;/m10..../s1
InChIKeyKEYQGACPHADOLF-FHOYKCDCSA-N
MW741.82 g/mol
LogP3.73
Rot. Bonds20

About 3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium

3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium (PubChem CID 159114894) has the molecular formula C33H62N4O11V and a molecular weight of 741.82 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium
PubChem CID159114894
Molecular FormulaC33H62N4O11V
Molecular Weight741.82 g/mol
Exact Mass741.39
IUPAC Name3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium
SMILESC.CCCC(CC(N)=O)CC(=O)O.CCCC1CC(=O)NC(=O)C1.CCC[C@@H](CC(N)=O)CC(=O)O.CCC[C@H](CC(N)=O)CC(=O)O.[V]
InChIInChI=1S/3C8H15NO3.C8H13NO2.CH4.V/c3*1-2-3-6(4-7(9)10)5-8(11)12;1-2-3-6-4-7(10)9-8(11)5-6;;/h3*6H,2-5H2,1H3,(H2,9,10)(H,11,12);6H,2-5H2,1H3,(H,9,10,11);1H4;/t2*6-;;;;/m10..../s1
InChIKeyKEYQGACPHADOLF-FHOYKCDCSA-N
XLogP3.73
TPSA287.34 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.82
LogP ≤ 53.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium?
The IUPAC name of 3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium (CID 159114894) is 3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium?
The canonical SMILES for 3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium is C.CCCC(CC(N)=O)CC(=O)O.CCCC1CC(=O)NC(=O)C1.CCC[C@@H](CC(N)=O)CC(=O)O.CCC[C@H](CC(N)=O)CC(=O)O.[V].
What is the InChIKey of 3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium?
The InChIKey is KEYQGACPHADOLF-FHOYKCDCSA-N. The full InChI is InChI=1S/3C8H15NO3.C8H13NO2.CH4.V/c3*1-2-3-6(4-7(9)10)5-8(11)12;1-2-3-6-4-7(10)9-8(11)5-6;;/h3*6H,2-5H2,1H3,(H2,9,10)(H,11,12);6H,2-5H2,1H3,(H,9,10,11);1H4;/t2*6-;;;;/m10..../s1.
What are the key properties of 3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium?
3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium has a molecular weight of 741.82 g/mol, XLogP of 3.73, 20 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)hexanoic acid;(3S)-3-(2-amino-2-oxoethyl)hexanoic acid;(3R)-3-(2-amino-2-oxoethyl)hexanoic acid;methane;4-propylpiperidine-2,6-dione;vanadium is sourced from PubChem (CID 159114894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).