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

C12H24N2O2 — CID 115220242

IUPAC3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
SMILESCN1CCCC(NCC(C)(C)CC(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,7-11(15)16)9-13-10-5-4-6-14(3)8-10/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyZISWSGKEMPNOSU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds5

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

3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid (PubChem CID 115220242) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
PubChem CID115220242
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
SMILESCN1CCCC(NCC(C)(C)CC(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,7-11(15)16)9-13-10-5-4-6-14(3)8-10/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyZISWSGKEMPNOSU-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclobutylamino)-3,3-dimethylbutanoic acid
CID 115220244
2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115204269
3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115164768
3,3-dimethyl-4-[2-(1-methylpiperidin-3-yl)ethylamino]butanoic acid
CID 115220443
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
CID 104624574
2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol
CID 81418718
3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115122911
3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115219774
4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid
CID 115122599
3,3-dimethyl-4-[2-(1-methylpyrrolidin-3-yl)ethylamino]butanoic acid
CID 115220444
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
The IUPAC name of 3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid (CID 115220242) is 3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
The canonical SMILES for 3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid is CN1CCCC(NCC(C)(C)CC(=O)O)C1.
What is the InChIKey of 3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
The InChIKey is ZISWSGKEMPNOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,7-11(15)16)9-13-10-5-4-6-14(3)8-10/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid is sourced from PubChem (CID 115220242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).