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

C15H30N2O3 — CID 83995392

IUPAC2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
SMILESCC(C)(C)CNC1CC(CCCO)CN(CC(=O)O)C1
InChIInChI=1S/C15H30N2O3/c1-15(2,3)11-16-13-7-12(5-4-6-18)8-17(9-13)10-14(19)20/h12-13,16,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyXKSZLNBQRVQAKL-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.17
Rot. Bonds7

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

2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid (PubChem CID 83995392) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
PubChem CID83995392
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
SMILESCC(C)(C)CNC1CC(CCCO)CN(CC(=O)O)C1
InChIInChI=1S/C15H30N2O3/c1-15(2,3)11-16-13-7-12(5-4-6-18)8-17(9-13)10-14(19)20/h12-13,16,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyXKSZLNBQRVQAKL-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

Analyze 2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]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

2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995351
3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
CID 83995471
2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid
CID 83995381
1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995388
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101
2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid
CID 83990025
2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid
CID 83995389
3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83995289
2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996082
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid (CID 83995392) is 2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid is CC(C)(C)CNC1CC(CCCO)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid?
The InChIKey is XKSZLNBQRVQAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-15(2,3)11-16-13-7-12(5-4-6-18)8-17(9-13)10-14(19)20/h12-13,16,18H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid?
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic 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 2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 83995392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).