4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid

C12H24N2O2 — CID 116938352

IUPAC4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid
SMILESCN1CCC(C(N)C(C)(C)CC(=O)O)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,8-10(15)16)11(13)9-4-6-14(3)7-5-9/h9,11H,4-8,13H2,1-3H3,(H,15,16)
InChIKeyVNSKROOCWRSOHV-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.16
Rot. Bonds4

About 4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid

4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid (PubChem CID 116938352) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid
PubChem CID116938352
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid
SMILESCN1CCC(C(N)C(C)(C)CC(=O)O)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,8-10(15)16)11(13)9-4-6-14(3)7-5-9/h9,11H,4-8,13H2,1-3H3,(H,15,16)
InChIKeyVNSKROOCWRSOHV-UHFFFAOYSA-N
XLogP1.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-(methylamino)-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116953587
2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
CID 116946591
3,3-dimethyl-2-(1-methylpiperidin-4-yl)butanoic acid
CID 116825069
3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid
CID 83856314
3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid
CID 116938112
1-hydroxy-3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one
CID 116835959
5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
CID 116940794
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
2-amino-2-(1-methylpiperidin-4-yl)propanoic acid
CID 82602342
3-methyl-3-[(1-methylpiperidin-4-yl)methylcarbamoylamino]butanoic acid
CID 64701673
3-amino-4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butanoic acid
CID 116911919
3-methyl-4-(methylamino)-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116953519

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid?
The IUPAC name of 4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid (CID 116938352) is 4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid.
What is the SMILES notation for 4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid?
The canonical SMILES for 4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid is CN1CCC(C(N)C(C)(C)CC(=O)O)CC1.
What is the InChIKey of 4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid?
The InChIKey is VNSKROOCWRSOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,8-10(15)16)11(13)9-4-6-14(3)7-5-9/h9,11H,4-8,13H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid?
4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid is sourced from PubChem (CID 116938352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).