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

C9H13N3O3 — CID 106402019

IUPAC2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
SMILESO=C(O)C(NCCc1ncon1)C1CC1
InChIInChI=1S/C9H13N3O3/c13-9(14)8(6-1-2-6)10-4-3-7-11-5-15-12-7/h5-6,8,10H,1-4H2,(H,13,14)
InChIKeyAWPFUVFHQWNJMW-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.06
Rot. Bonds6

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

2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid (PubChem CID 106402019) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
PubChem CID106402019
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
SMILESO=C(O)C(NCCc1ncon1)C1CC1
InChIInChI=1S/C9H13N3O3/c13-9(14)8(6-1-2-6)10-4-3-7-11-5-15-12-7/h5-6,8,10H,1-4H2,(H,13,14)
InChIKeyAWPFUVFHQWNJMW-UHFFFAOYSA-N
XLogP0.06
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(dicyclopropylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395342
2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106419572
N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106401243
N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106401246
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 106400593
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106396755
(2S)-3-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106404555
2-(cyclopropylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106397634
1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393050
(E)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]prop-2-enoic acid
CID 106402062
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 114183997

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid (CID 106402019) is 2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid is O=C(O)C(NCCc1ncon1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The InChIKey is AWPFUVFHQWNJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-9(14)8(6-1-2-6)10-4-3-7-11-5-15-12-7/h5-6,8,10H,1-4H2,(H,13,14).
What are the key properties of 2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.06, 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-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid is sourced from PubChem (CID 106402019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).