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

C14H22N2O5 — CID 64616596

IUPAC2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
SMILESCCOC(=O)C1CCCN(C(=O)N2CC(CC(=O)O)C2)C1
InChIInChI=1S/C14H22N2O5/c1-2-21-13(19)11-4-3-5-15(9-11)14(20)16-7-10(8-16)6-12(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyJBWXTCOTRGODRX-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.79
Rot. Bonds4

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

2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64616596) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64616596
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
SMILESCCOC(=O)C1CCCN(C(=O)N2CC(CC(=O)O)C2)C1
InChIInChI=1S/C14H22N2O5/c1-2-21-13(19)11-4-3-5-15(9-11)14(20)16-7-10(8-16)6-12(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyJBWXTCOTRGODRX-UHFFFAOYSA-N
XLogP0.79
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
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ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
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2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl (3R)-1-but-3-enoylpiperidine-3-carboxylate
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2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61188372
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid (CID 64616596) is 2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid is CCOC(=O)C1CCCN(C(=O)N2CC(CC(=O)O)C2)C1.
What is the InChIKey of 2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is JBWXTCOTRGODRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-2-21-13(19)11-4-3-5-15(9-11)14(20)16-7-10(8-16)6-12(17)18/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 298.34 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).