2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid

C12H20N4O4 — CID 106420645

IUPAC2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCc1nc(C)no1)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-3-4-9(11(17)18)7-14-12(19)13-6-5-10-15-8(2)16-20-10/h9H,3-7H2,1-2H3,(H,17,18)(H2,13,14,19)
InChIKeyIHFWBIWTDCTFOM-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.72
Rot. Bonds8

About 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid

2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid (PubChem CID 106420645) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid
PubChem CID106420645
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCc1nc(C)no1)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-3-4-9(11(17)18)7-14-12(19)13-6-5-10-15-8(2)16-20-10/h9H,3-7H2,1-2H3,(H,17,18)(H2,13,14,19)
InChIKeyIHFWBIWTDCTFOM-UHFFFAOYSA-N
XLogP0.72
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]pentanoic acid
CID 65218977
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106417471
(2R)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 106420767
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
(2S)-4-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106420662
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111121157
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 110921864
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106415376
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106420807
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid (CID 106420645) is 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)NCCc1nc(C)no1)C(=O)O.
What is the InChIKey of 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is IHFWBIWTDCTFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-3-4-9(11(17)18)7-14-12(19)13-6-5-10-15-8(2)16-20-10/h9H,3-7H2,1-2H3,(H,17,18)(H2,13,14,19).
What are the key properties of 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid?
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 284.32 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 106420645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).