2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid

C11H13NO4 — CID 64605801

IUPAC2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid
SMILESCc1ccc(C(=O)N2CC(CC(=O)O)C2)o1
InChIInChI=1S/C11H13NO4/c1-7-2-3-9(16-7)11(15)12-5-8(6-12)4-10(13)14/h2-3,8H,4-6H2,1H3,(H,13,14)
InChIKeyCBLOLNDZCMURRX-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.13
Rot. Bonds3

About 2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid

2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64605801) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64605801
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid
SMILESCc1ccc(C(=O)N2CC(CC(=O)O)C2)o1
InChIInChI=1S/C11H13NO4/c1-7-2-3-9(16-7)11(15)12-5-8(6-12)4-10(13)14/h2-3,8H,4-6H2,1H3,(H,13,14)
InChIKeyCBLOLNDZCMURRX-UHFFFAOYSA-N
XLogP1.13
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
[3-(bromomethyl)azetidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 130531455
2-[1-(4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64603311
2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605217
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 114801301
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618420
(5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 97318596
[3-(2-chloroethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 55186498
2-[1-[4-(aminomethyl)benzoyl]azetidin-3-yl]acetic acid
CID 64605014
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568
2-[1-[4-(2-aminoethyl)benzoyl]azetidin-3-yl]acetic acid
CID 64605400
2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64602979

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid (CID 64605801) is 2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid is Cc1ccc(C(=O)N2CC(CC(=O)O)C2)o1.
What is the InChIKey of 2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is CBLOLNDZCMURRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-2-3-9(16-7)11(15)12-5-8(6-12)4-10(13)14/h2-3,8H,4-6H2,1H3,(H,13,14).
What are the key properties of 2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).