2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid

C13H22N2O4 — CID 64617036

IUPAC2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid
SMILESCCOC1CCN(C(=O)N2CC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H22N2O4/c1-2-19-11-3-5-14(6-4-11)13(18)15-8-10(9-15)7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyXQJWJEVLCLNFAI-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.01
Rot. Bonds4

About 2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid

2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64617036) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64617036
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid
SMILESCCOC1CCN(C(=O)N2CC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H22N2O4/c1-2-19-11-3-5-14(6-4-11)13(18)15-8-10(9-15)7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyXQJWJEVLCLNFAI-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid
CID 64618080
2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616809
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616596
2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64618608
2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid
CID 64616622
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 106670818
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
CID 103500361
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
CID 57091302

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid (CID 64617036) is 2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid is CCOC1CCN(C(=O)N2CC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is XQJWJEVLCLNFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-19-11-3-5-14(6-4-11)13(18)15-8-10(9-15)7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).