3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid

C15H30N2O2 — CID 54926001

IUPAC3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid
SMILESCN1CCCCC1CCN(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-15(2,3)17(12-9-14(18)19)11-8-13-7-5-6-10-16(13)4/h13H,5-12H2,1-4H3,(H,18,19)
InChIKeyIRKGGNVXIGCDAO-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.44
Rot. Bonds6

About 3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid

3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid (PubChem CID 54926001) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid
PubChem CID54926001
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid
SMILESCN1CCCCC1CCN(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-15(2,3)17(12-9-14(18)19)11-8-13-7-5-6-10-16(13)4/h13H,5-12H2,1-4H3,(H,18,19)
InChIKeyIRKGGNVXIGCDAO-UHFFFAOYSA-N
XLogP2.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
CID 60834292
N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide
CID 110855386
2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
CID 60838965
2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
CID 54969053
2-methyl-2-N-[2-(1-methylpiperidin-2-yl)ethyl]-2-N-propylpropane-1,2-diamine
CID 107911289
methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62026994
(2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride
CID 119894079
ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62012811
sodium 3-(1-methylpiperidin-2-yl)propanoate
CID 172639720
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]urea
CID 111507577

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid (CID 54926001) is 3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid is CN1CCCCC1CCN(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid?
The InChIKey is IRKGGNVXIGCDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(2,3)17(12-9-14(18)19)11-8-13-7-5-6-10-16(13)4/h13H,5-12H2,1-4H3,(H,18,19).
What are the key properties of 3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid?
3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid is sourced from PubChem (CID 54926001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).