2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid

C11H17NO5 — CID 64605378

IUPAC2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid
SMILESCCOC(=O)CCC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-2-17-11(16)4-3-9(13)12-6-8(7-12)5-10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyFXWKSGRAQKFTNV-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.26
Rot. Bonds6

About 2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid

2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid (PubChem CID 64605378) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid
PubChem CID64605378
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid
SMILESCCOC(=O)CCC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-2-17-11(16)4-3-9(13)12-6-8(7-12)5-10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyFXWKSGRAQKFTNV-UHFFFAOYSA-N
XLogP0.26
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262
2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64605561
ethyl 4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 43422393
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid
CID 64603524
2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid
CID 64603746
ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
CID 108570118
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616596
2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid
CID 103156000
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid (CID 64605378) is 2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid is CCOC(=O)CCC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid?
The InChIKey is FXWKSGRAQKFTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-17-11(16)4-3-9(13)12-6-8(7-12)5-10(14)15/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid?
2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).