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

C10H20N2O3 — CID 83990025

IUPAC2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid
SMILESCNC1CC(CCO)CN(CC(=O)O)C1
InChIInChI=1S/C10H20N2O3/c1-11-9-4-8(2-3-13)5-12(6-9)7-10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyVQXSFIRJKRUITF-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.64
Rot. Bonds5

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

2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid (PubChem CID 83990025) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid
PubChem CID83990025
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid
SMILESCNC1CC(CCO)CN(CC(=O)O)C1
InChIInChI=1S/C10H20N2O3/c1-11-9-4-8(2-3-13)5-12(6-9)7-10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyVQXSFIRJKRUITF-UHFFFAOYSA-N
XLogP-0.64
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996082
2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid
CID 83994006
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83990081
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83991921
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 83994019
2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83989945

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid (CID 83990025) is 2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid is CNC1CC(CCO)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid?
The InChIKey is VQXSFIRJKRUITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-11-9-4-8(2-3-13)5-12(6-9)7-10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid?
2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid has a molecular weight of 216.28 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 83990025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).