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

C12H13N3O3S — CID 55107388

IUPAC2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
SMILESO=C(O)C(NCc1nc(-c2ccsc2)no1)C1CC1
InChIInChI=1S/C12H13N3O3S/c16-12(17)10(7-1-2-7)13-5-9-14-11(15-18-9)8-3-4-19-6-8/h3-4,6-7,10,13H,1-2,5H2,(H,16,17)
InChIKeyXFRQGWKLUDKMKG-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.75
Rot. Bonds6

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

2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid (PubChem CID 55107388) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
PubChem CID55107388
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
SMILESO=C(O)C(NCc1nc(-c2ccsc2)no1)C1CC1
InChIInChI=1S/C12H13N3O3S/c16-12(17)10(7-1-2-7)13-5-9-14-11(15-18-9)8-3-4-19-6-8/h3-4,6-7,10,13H,1-2,5H2,(H,16,17)
InChIKeyXFRQGWKLUDKMKG-UHFFFAOYSA-N
XLogP1.75
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 62694884
1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
CID 119947853
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780
2-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 48682452
2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 47431933
2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 62696005
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 43241506
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24582544
N-cyclopentyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9078298
4-methyl-6-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]hexanoic acid
CID 65289700
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 43627834
methyl 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 17453489

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid (CID 55107388) is 2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid is O=C(O)C(NCc1nc(-c2ccsc2)no1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The InChIKey is XFRQGWKLUDKMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-12(17)10(7-1-2-7)13-5-9-14-11(15-18-9)8-3-4-19-6-8/h3-4,6-7,10,13H,1-2,5H2,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid has a molecular weight of 279.32 g/mol, XLogP of 1.75, 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-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid is sourced from PubChem (CID 55107388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).