2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid

C13H26N2O2 — CID 83995381

IUPAC2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid
SMILESCC1CC(NCC(C)(C)C)CN(CC(=O)O)C1
InChIInChI=1S/C13H26N2O2/c1-10-5-11(14-9-13(2,3)4)7-15(6-10)8-12(16)17/h10-11,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyKSBQIWVDTJQANK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.42
Rot. Bonds4

About 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid

2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid (PubChem CID 83995381) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid
PubChem CID83995381
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid
SMILESCC1CC(NCC(C)(C)C)CN(CC(=O)O)C1
InChIInChI=1S/C13H26N2O2/c1-10-5-11(14-9-13(2,3)4)7-15(6-10)8-12(16)17/h10-11,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyKSBQIWVDTJQANK-UHFFFAOYSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995388
methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate
CID 83995396
2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid
CID 83995389
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate
CID 83998177
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
methyl 2-[3-(ethylamino)-5-methylpiperidin-1-yl]acetate
CID 83990662
N-[1-(2-amino-2-oxoethyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542492
3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
CID 83995471
3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
methyl 2-[3-methyl-5-(methylamino)piperidin-1-yl]acetate
CID 83990030

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid (CID 83995381) is 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid is CC1CC(NCC(C)(C)C)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid?
The InChIKey is KSBQIWVDTJQANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10-5-11(14-9-13(2,3)4)7-15(6-10)8-12(16)17/h10-11,14H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid?
2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid has a molecular weight of 242.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid is sourced from PubChem (CID 83995381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).