5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid

C10H22N2O2 — CID 144799447

IUPAC5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid
SMILESCNC(C(=O)O)C(C)(C)CC(C)(C)N
InChIInChI=1S/C10H22N2O2/c1-9(2,6-10(3,4)11)7(12-5)8(13)14/h7,12H,6,11H2,1-5H3,(H,13,14)
InChIKeyQLEMIMOLYDCADA-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.81
Rot. Bonds5

About 5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid

5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid (PubChem CID 144799447) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid.

Molecular Properties

Compound Name5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid
PubChem CID144799447
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid
SMILESCNC(C(=O)O)C(C)(C)CC(C)(C)N
InChIInChI=1S/C10H22N2O2/c1-9(2,6-10(3,4)11)7(12-5)8(13)14/h7,12H,6,11H2,1-5H3,(H,13,14)
InChIKeyQLEMIMOLYDCADA-UHFFFAOYSA-N
XLogP0.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-(methylamino)butanoic acid;ethane
CID 143824756
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CID 160694927
(2R)-4-(4-hydroperoxyphenyl)-3,3-dimethyl-2-(methylamino)butanoic acid
CID 166863629
3-methyl-2-(methylamino)-3-(2-nitrosoethyldisulfanyl)butanoic acid
CID 89118270
2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid
CID 90020733
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
4-amino-2,4-dimethylpentanoic acid
CID 20501045
2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one
CID 174038150
(2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103927163
(2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 79813832
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid?
The IUPAC name of 5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid (CID 144799447) is 5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid.
What is the SMILES notation for 5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid?
The canonical SMILES for 5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid is CNC(C(=O)O)C(C)(C)CC(C)(C)N.
What is the InChIKey of 5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid?
The InChIKey is QLEMIMOLYDCADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(2,6-10(3,4)11)7(12-5)8(13)14/h7,12H,6,11H2,1-5H3,(H,13,14).
What are the key properties of 5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid?
5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid is sourced from PubChem (CID 144799447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).