3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid

C15H30N2O3 — CID 83995471

IUPAC3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C)CNC1CC(CCC(=O)O)CN(CCO)C1
InChIInChI=1S/C15H30N2O3/c1-15(2,3)11-16-13-8-12(4-5-14(19)20)9-17(10-13)6-7-18/h12-13,16,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyIQIHSORKCIGRHZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.17
Rot. Bonds7

About 3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid

3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid (PubChem CID 83995471) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
PubChem CID83995471
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C)CNC1CC(CCC(=O)O)CN(CCO)C1
InChIInChI=1S/C15H30N2O3/c1-15(2,3)11-16-13-8-12(4-5-14(19)20)9-17(10-13)6-7-18/h12-13,16,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyIQIHSORKCIGRHZ-UHFFFAOYSA-N
XLogP1.17
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid
CID 83995064
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542064
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101
3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid
CID 83990161
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995351
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid (CID 83995471) is 3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid is CC(C)(C)CNC1CC(CCC(=O)O)CN(CCO)C1.
What is the InChIKey of 3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid?
The InChIKey is IQIHSORKCIGRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-15(2,3)11-16-13-8-12(4-5-14(19)20)9-17(10-13)6-7-18/h12-13,16,18H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid?
3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83995471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).