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

C13H22N2O3 — CID 64617041

IUPAC2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
SMILESCCC1CCN(C(=O)N2CC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-10-3-5-14(6-4-10)13(18)15-8-11(9-15)7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyBORLAHVDXXAEMX-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.63
Rot. Bonds3

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

2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64617041) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64617041
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
SMILESCCC1CCN(C(=O)N2CC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-10-3-5-14(6-4-10)13(18)15-8-11(9-15)7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyBORLAHVDXXAEMX-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617036
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
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-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
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
2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid
CID 79605864
(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 14084840
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid (CID 64617041) is 2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid is CCC1CCN(C(=O)N2CC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is BORLAHVDXXAEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-10-3-5-14(6-4-10)13(18)15-8-11(9-15)7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).