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

C15H22N2O4 — CID 82326895

IUPAC3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)N1CCCCC1)Cc1ccco1
InChIInChI=1S/C15H22N2O4/c18-14(17-7-2-1-3-8-17)12-16(9-6-15(19)20)11-13-5-4-10-21-13/h4-5,10H,1-3,6-9,11-12H2,(H,19,20)
InChIKeyHMMBZOGIIIPFIK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.57
Rot. Bonds7

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

3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid (PubChem CID 82326895) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
PubChem CID82326895
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)N1CCCCC1)Cc1ccco1
InChIInChI=1S/C15H22N2O4/c18-14(17-7-2-1-3-8-17)12-16(9-6-15(19)20)11-13-5-4-10-21-13/h4-5,10H,1-3,6-9,11-12H2,(H,19,20)
InChIKeyHMMBZOGIIIPFIK-UHFFFAOYSA-N
XLogP1.57
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113138450
3-[[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]propanenitrile
CID 78820956
1-(azepan-1-yl)-3-(furan-2-ylmethylamino)propan-1-one
CID 109018638
3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
CID 82327164
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
ethyl 1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetyl]piperidine-4-carboxylate
CID 78822822
N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2428178
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
3-[[2-(azepan-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82327043

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
The IUPAC name of 3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid (CID 82326895) is 3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
The canonical SMILES for 3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid is O=C(O)CCN(CC(=O)N1CCCCC1)Cc1ccco1.
What is the InChIKey of 3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
The InChIKey is HMMBZOGIIIPFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-14(17-7-2-1-3-8-17)12-16(9-6-15(19)20)11-13-5-4-10-21-13/h4-5,10H,1-3,6-9,11-12H2,(H,19,20).
What are the key properties of 3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid is sourced from PubChem (CID 82326895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).