5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid

C11H23NO2 — CID 147314625

IUPAC5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid
SMILESCC(C)CC(CCC(C)(C)N)C(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)7-9(10(13)14)5-6-11(3,4)12/h8-9H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyCYPVLLZQHGAXFY-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.25
Rot. Bonds6

About 5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid

5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid (PubChem CID 147314625) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid.

Molecular Properties

Compound Name5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid
PubChem CID147314625
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid
SMILESCC(C)CC(CCC(C)(C)N)C(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)7-9(10(13)14)5-6-11(3,4)12/h8-9H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyCYPVLLZQHGAXFY-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
6-(2-methylpropoxy)-2-(2-methylpropyl)-6-oxohexanoic acid
CID 175272434
(2R)-2-(fluoromethyl)-4-methylpentanoic acid
CID 129304901
(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
CID 129371887
4-methyl-2-[(3-methylbutylamino)methyl]pentanoic acid
CID 122127985
5-amino-5-methylhexan-2-ol
CID 13107683
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
CID 14303036
(2S)-2,5,5-triaminohexanoic acid
CID 178040033
2-[(4,4-dimethylpentan-2-ylamino)methyl]-4-methylpentanoic acid
CID 122128173
2-(aminomethyl)-5,5-dimethylheptanoic acid
CID 87760218

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid?
The IUPAC name of 5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid (CID 147314625) is 5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid.
What is the SMILES notation for 5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid?
The canonical SMILES for 5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid is CC(C)CC(CCC(C)(C)N)C(=O)O.
What is the InChIKey of 5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid?
The InChIKey is CYPVLLZQHGAXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)7-9(10(13)14)5-6-11(3,4)12/h8-9H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid?
5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid is sourced from PubChem (CID 147314625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).