3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium

C7H15NO2SV — CID 160694927

IUPAC3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium
SMILESCNC(C(=O)O)C(C)(C)SC.[V]
InChIInChI=1S/C7H15NO2S.V/c1-7(2,11-4)5(8-3)6(9)10;/h5,8H,1-4H3,(H,9,10);
InChIKeyRPWKPFHSSUXIOU-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.80
Rot. Bonds4

About 3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium

3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium (PubChem CID 160694927) has the molecular formula C7H15NO2SV and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium.

Molecular Properties

Compound Name3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium
PubChem CID160694927
Molecular FormulaC7H15NO2SV
Molecular Weight228.21 g/mol
Exact Mass228.03
IUPAC Name3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium
SMILESCNC(C(=O)O)C(C)(C)SC.[V]
InChIInChI=1S/C7H15NO2S.V/c1-7(2,11-4)5(8-3)6(9)10;/h5,8H,1-4H3,(H,9,10);
InChIKeyRPWKPFHSSUXIOU-UHFFFAOYSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid
CID 139696264
3,3-dimethyl-2-(methylamino)butanoic acid;ethane
CID 143824756
3-methyl-2-(methylamino)-3-(2-nitrosoethyldisulfanyl)butanoic acid
CID 89118270
5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid
CID 144799447
(2R)-2-amino-3-methyl-3-methylsulfanylbutanoic acid;2-hydroxy-3-methyl-3-methylsulfanylbutanoic acid;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid
CID 159021654
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091
(2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid
CID 139665334
actinium;2-hydroxy-2-(methylamino)acetic acid
CID 59943619
(2S)-2-[[(1S)-1-hydroxyethyl]amino]-3-methyl-3-sulfanylbutanoic acid
CID 138574275
(2R)-2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid
CID 100944737
ethane;3-methyl-2-(methylamino)-3-(3-methylphenyl)butanoic acid
CID 142877351
(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid
CID 5288874

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium?
The IUPAC name of 3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium (CID 160694927) is 3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium.
What is the SMILES notation for 3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium?
The canonical SMILES for 3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium is CNC(C(=O)O)C(C)(C)SC.[V].
What is the InChIKey of 3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium?
The InChIKey is RPWKPFHSSUXIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.V/c1-7(2,11-4)5(8-3)6(9)10;/h5,8H,1-4H3,(H,9,10);.
What are the key properties of 3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium?
3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium has a molecular weight of 228.21 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium is sourced from PubChem (CID 160694927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).