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

C11H17N3O3 — CID 62696005

IUPAC2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
SMILESCCCc1noc(CNC(C(=O)O)C2CC2)n1
InChIInChI=1S/C11H17N3O3/c1-2-3-8-13-9(17-14-8)6-12-10(11(15)16)7-4-5-7/h7,10,12H,2-6H2,1H3,(H,15,16)
InChIKeyNUEABSMCYQRCAV-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.97
Rot. Bonds7

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

2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid (PubChem CID 62696005) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
PubChem CID62696005
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
SMILESCCCc1noc(CNC(C(=O)O)C2CC2)n1
InChIInChI=1S/C11H17N3O3/c1-2-3-8-13-9(17-14-8)6-12-10(11(15)16)7-4-5-7/h7,10,12H,2-6H2,1H3,(H,15,16)
InChIKeyNUEABSMCYQRCAV-UHFFFAOYSA-N
XLogP0.97
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 62696305
2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106419572
2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 62694884
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 55107388
2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid
CID 107044903
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
(2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol
CID 86786943
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylbutanoic acid
CID 43468263
(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875109
2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202639
2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43469214

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid (CID 62696005) is 2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid is CCCc1noc(CNC(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The InChIKey is NUEABSMCYQRCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-3-8-13-9(17-14-8)6-12-10(11(15)16)7-4-5-7/h7,10,12H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid is sourced from PubChem (CID 62696005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).