2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid

C16H30N2O3 — CID 106814212

IUPAC2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
SMILESCC1(C)CC(N2CCCC(CNCC(=O)O)C2)C(C)(C)O1
InChIInChI=1S/C16H30N2O3/c1-15(2)8-13(16(3,4)21-15)18-7-5-6-12(11-18)9-17-10-14(19)20/h12-13,17H,5-11H2,1-4H3,(H,19,20)
InChIKeyGHIQMNKDYXJHJV-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.72
Rot. Bonds5

About 2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814212) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106814212
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
SMILESCC1(C)CC(N2CCCC(CNCC(=O)O)C2)C(C)(C)O1
InChIInChI=1S/C16H30N2O3/c1-15(2)8-13(16(3,4)21-15)18-7-5-6-12(11-18)9-17-10-14(19)20/h12-13,17H,5-11H2,1-4H3,(H,19,20)
InChIKeyGHIQMNKDYXJHJV-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methanol
CID 114623860
2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid
CID 106813964
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 79934218
2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106814125
2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid
CID 106813876
2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid
CID 65060205
2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990
2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813626
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 79926969

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid (CID 106814212) is 2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid is CC1(C)CC(N2CCCC(CNCC(=O)O)C2)C(C)(C)O1.
What is the InChIKey of 2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is GHIQMNKDYXJHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2)8-13(16(3,4)21-15)18-7-5-6-12(11-18)9-17-10-14(19)20/h12-13,17H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 298.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).