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

C10H15N3O3 — CID 106419572

IUPAC2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
SMILESCc1nc(CCNC(C(=O)O)C2CC2)no1
InChIInChI=1S/C10H15N3O3/c1-6-12-8(13-16-6)4-5-11-9(10(14)15)7-2-3-7/h7,9,11H,2-5H2,1H3,(H,14,15)
InChIKeyDTKCANMBPQEOAE-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.37
Rot. Bonds6

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

2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid (PubChem CID 106419572) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
PubChem CID106419572
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
SMILESCc1nc(CCNC(C(=O)O)C2CC2)no1
InChIInChI=1S/C10H15N3O3/c1-6-12-8(13-16-6)4-5-11-9(10(14)15)7-2-3-7/h7,9,11H,2-5H2,1H3,(H,14,15)
InChIKeyDTKCANMBPQEOAE-UHFFFAOYSA-N
XLogP0.37
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
CID 106416017
2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 62696005
methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 103952281
2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid
CID 103256389
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 106416090
3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106420257
2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 62696305
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
CID 103931604
2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 106420290
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid (CID 106419572) is 2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid is Cc1nc(CCNC(C(=O)O)C2CC2)no1.
What is the InChIKey of 2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The InChIKey is DTKCANMBPQEOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-12-8(13-16-6)4-5-11-9(10(14)15)7-2-3-7/h7,9,11H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid is sourced from PubChem (CID 106419572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).