2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid

C14H19NO3 — CID 65069383

IUPAC2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid
SMILESCC1CC1c1ccc(CN2CC(CC(=O)O)C2)o1
InChIInChI=1S/C14H19NO3/c1-9-4-12(9)13-3-2-11(18-13)8-15-6-10(7-15)5-14(16)17/h2-3,9-10,12H,4-8H2,1H3,(H,16,17)
InChIKeyHKPUMOGIEVYUMR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds5

About 2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid

2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid (PubChem CID 65069383) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid
PubChem CID65069383
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid
SMILESCC1CC1c1ccc(CN2CC(CC(=O)O)C2)o1
InChIInChI=1S/C14H19NO3/c1-9-4-12(9)13-3-2-11(18-13)8-15-6-10(7-15)5-14(16)17/h2-3,9-10,12H,4-8H2,1H3,(H,16,17)
InChIKeyHKPUMOGIEVYUMR-UHFFFAOYSA-N
XLogP2.31
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]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-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid
CID 102660117
1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 65056448
N-methyl-1-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55168091
2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043157
2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 65070911
methyl 2-[(2R)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]morpholin-2-yl]acetate
CID 97159681
2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 97160160
2,2-dimethyl-4-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 97160162
2-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 75438560
N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide
CID 97332274
N-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide
CID 75438604
trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid
CID 124709244

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid (CID 65069383) is 2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid is CC1CC1c1ccc(CN2CC(CC(=O)O)C2)o1.
What is the InChIKey of 2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid?
The InChIKey is HKPUMOGIEVYUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-4-12(9)13-3-2-11(18-13)8-15-6-10(7-15)5-14(16)17/h2-3,9-10,12H,4-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid?
2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 65069383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).