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

C10H11NO4 — CID 64605217

IUPAC2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccco2)C1
InChIInChI=1S/C10H11NO4/c12-9(13)4-7-5-11(6-7)10(14)8-2-1-3-15-8/h1-3,7H,4-6H2,(H,12,13)
InChIKeyWDHGUFUBMGUUBQ-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.83
Rot. Bonds3

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

2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64605217) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64605217
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccco2)C1
InChIInChI=1S/C10H11NO4/c12-9(13)4-7-5-11(6-7)10(14)8-2-1-3-15-8/h1-3,7H,4-6H2,(H,12,13)
InChIKeyWDHGUFUBMGUUBQ-UHFFFAOYSA-N
XLogP0.83
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid
CID 64603352
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605801
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
CID 110602243
[7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone
CID 131656186
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 120742263
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid (CID 64605217) is 2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)c2ccco2)C1.
What is the InChIKey of 2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is WDHGUFUBMGUUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-9(13)4-7-5-11(6-7)10(14)8-2-1-3-15-8/h1-3,7H,4-6H2,(H,12,13).
What are the key properties of 2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).