3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid

C13H24N2O4 — CID 82326888

IUPAC3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCO)CC(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O4/c16-10-4-6-14(9-5-13(18)19)11-12(17)15-7-2-1-3-8-15/h16H,1-11H2,(H,18,19)
InChIKeyUVVGYUFXCLXFEH-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.16
Rot. Bonds8

About 3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid

3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid (PubChem CID 82326888) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
PubChem CID82326888
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCO)CC(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O4/c16-10-4-6-14(9-5-13(18)19)11-12(17)15-7-2-1-3-8-15/h16H,1-11H2,(H,18,19)
InChIKeyUVVGYUFXCLXFEH-UHFFFAOYSA-N
XLogP0.16
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82327001
3-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 54899793
3-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]propanoic acid
CID 61010359
2-[bis(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60686615
3-[[2-(azepan-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82327043
3-[2-carboxyethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
CID 82327027
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid
CID 82326965
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 82326895
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
The IUPAC name of 3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid (CID 82326888) is 3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
The canonical SMILES for 3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid is O=C(O)CCN(CCCO)CC(=O)N1CCCCC1.
What is the InChIKey of 3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
The InChIKey is UVVGYUFXCLXFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c16-10-4-6-14(9-5-13(18)19)11-12(17)15-7-2-1-3-8-15/h16H,1-11H2,(H,18,19).
What are the key properties of 3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid is sourced from PubChem (CID 82326888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).