2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid

C14H17N3O4 — CID 60833404

IUPAC2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid
SMILESCc1cc(-c2nnc(CN(CC(=O)O)C3CC3)o2)c(C)o1
InChIInChI=1S/C14H17N3O4/c1-8-5-11(9(2)20-8)14-16-15-12(21-14)6-17(7-13(18)19)10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,18,19)
InChIKeyWYNJXPVZVIKCNI-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.00
Rot. Bonds6

About 2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid

2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid (PubChem CID 60833404) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid
PubChem CID60833404
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid
SMILESCc1cc(-c2nnc(CN(CC(=O)O)C3CC3)o2)c(C)o1
InChIInChI=1S/C14H17N3O4/c1-8-5-11(9(2)20-8)14-16-15-12(21-14)6-17(7-13(18)19)10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,18,19)
InChIKeyWYNJXPVZVIKCNI-UHFFFAOYSA-N
XLogP2.00
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid with MolForge

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Related Compounds

2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
CID 54945171
cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 129446163
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid
CID 43465858
1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 26391579
3-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]butanoic acid
CID 66137386
2-(bromomethyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 81222711
N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 9254768
2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 54945910
1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 29152989
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 43513417
2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
CID 65057571

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid (CID 60833404) is 2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid is Cc1cc(-c2nnc(CN(CC(=O)O)C3CC3)o2)c(C)o1.
What is the InChIKey of 2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid?
The InChIKey is WYNJXPVZVIKCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8-5-11(9(2)20-8)14-16-15-12(21-14)6-17(7-13(18)19)10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid?
2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid has a molecular weight of 291.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 60833404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).