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

C10H16N4O3 — CID 106419710

IUPAC2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
SMILESCc1noc(CCNC2(CC(=O)O)CNC2)n1
InChIInChI=1S/C10H16N4O3/c1-7-13-8(17-14-7)2-3-12-10(4-9(15)16)5-11-6-10/h11-12H,2-6H2,1H3,(H,15,16)
InChIKeyKKJJNVCCHRDJIQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.67
Rot. Bonds6

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

2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid (PubChem CID 106419710) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
PubChem CID106419710
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
SMILESCc1noc(CCNC2(CC(=O)O)CNC2)n1
InChIInChI=1S/C10H16N4O3/c1-7-13-8(17-14-7)2-3-12-10(4-9(15)16)5-11-6-10/h11-12H,2-6H2,1H3,(H,15,16)
InChIKeyKKJJNVCCHRDJIQ-UHFFFAOYSA-N
XLogP-0.67
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 64701479
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 103822021
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 113363786
2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107142408
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106420807
3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
CID 106420593
1-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119310003
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106417020
N-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]acetamide
CID 106416797

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid (CID 106419710) is 2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid is Cc1noc(CCNC2(CC(=O)O)CNC2)n1.
What is the InChIKey of 2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid?
The InChIKey is KKJJNVCCHRDJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7-13-8(17-14-7)2-3-12-10(4-9(15)16)5-11-6-10/h11-12H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid?
2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 106419710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).