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

C13H15N3O4 — CID 43656750

IUPAC2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1nnc(-c2ccco2)o1)CC1CC1
InChIInChI=1S/C13H15N3O4/c17-12(18)8-16(6-9-3-4-9)7-11-14-15-13(20-11)10-2-1-5-19-10/h1-2,5,9H,3-4,6-8H2,(H,17,18)
InChIKeyKYXFYNMIXNFKTA-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.63
Rot. Bonds7

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

2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid (PubChem CID 43656750) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid
PubChem CID43656750
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1nnc(-c2ccco2)o1)CC1CC1
InChIInChI=1S/C13H15N3O4/c17-12(18)8-16(6-9-3-4-9)7-11-14-15-13(20-11)10-2-1-5-19-10/h1-2,5,9H,3-4,6-8H2,(H,17,18)
InChIKeyKYXFYNMIXNFKTA-UHFFFAOYSA-N
XLogP1.63
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid (CID 43656750) is 2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid is O=C(O)CN(Cc1nnc(-c2ccco2)o1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid?
The InChIKey is KYXFYNMIXNFKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-12(18)8-16(6-9-3-4-9)7-11-14-15-13(20-11)10-2-1-5-19-10/h1-2,5,9H,3-4,6-8H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid?
2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid has a molecular weight of 277.28 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 43656750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).