2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid

C12H13N3O4 — CID 62694884

IUPAC2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
SMILESO=C(O)C(NCc1nc(-c2ccco2)no1)C1CC1
InChIInChI=1S/C12H13N3O4/c16-12(17)10(7-3-4-7)13-6-9-14-11(15-19-9)8-2-1-5-18-8/h1-2,5,7,10,13H,3-4,6H2,(H,16,17)
InChIKeyAQHKNMZTZUFQSM-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.28
Rot. Bonds6

About 2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid

2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid (PubChem CID 62694884) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
PubChem CID62694884
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
SMILESO=C(O)C(NCc1nc(-c2ccco2)no1)C1CC1
InChIInChI=1S/C12H13N3O4/c16-12(17)10(7-3-4-7)13-6-9-14-11(15-19-9)8-2-1-5-18-8/h1-2,5,7,10,13H,3-4,6H2,(H,16,17)
InChIKeyAQHKNMZTZUFQSM-UHFFFAOYSA-N
XLogP1.28
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 55107388
3,3,3-trifluoro-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 79789396
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 62716647
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81167549
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 86922268
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]propanoic acid
CID 60833607
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
CID 50956111
(1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
CID 95144639
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 43245014
1-(2,5-dimethylfuran-3-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 86789733
(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95158981

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid (CID 62694884) is 2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid is O=C(O)C(NCc1nc(-c2ccco2)no1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
The InChIKey is AQHKNMZTZUFQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-12(17)10(7-3-4-7)13-6-9-14-11(15-19-9)8-2-1-5-18-8/h1-2,5,7,10,13H,3-4,6H2,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid has a molecular weight of 263.25 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid is sourced from PubChem (CID 62694884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).