2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid

C12H20N2O3 — CID 79608262

IUPAC2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC(=O)N2CCC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(14-4-1-5-14)9-13-6-2-10(3-7-13)8-12(16)17/h10H,1-9H2,(H,16,17)
InChIKeyDBAQZGSYFRIVEL-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.41
Rot. Bonds4

About 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid

2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid (PubChem CID 79608262) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
PubChem CID79608262
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC(=O)N2CCC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(14-4-1-5-14)9-13-6-2-10(3-7-13)8-12(16)17/h10H,1-9H2,(H,16,17)
InChIKeyDBAQZGSYFRIVEL-UHFFFAOYSA-N
XLogP0.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 92633834
2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849774
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
2-[6,9-bis(carboxymethyl)-1,6-diazecan-3-yl]acetic acid
CID 167250780
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62689102
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63847542

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid (CID 79608262) is 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(CC(=O)N2CCC2)CC1.
What is the InChIKey of 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid?
The InChIKey is DBAQZGSYFRIVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(14-4-1-5-14)9-13-6-2-10(3-7-13)8-12(16)17/h10H,1-9H2,(H,16,17).
What are the key properties of 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid?
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).