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

C13H20N4O4 — CID 106420807

IUPAC1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1noc(CCNC(=O)NCC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C13H20N4O4/c1-9-16-10(21-17-9)4-7-14-12(20)15-8-13(11(18)19)5-2-3-6-13/h2-8H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyGKTWRAQSPZBORT-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.86
Rot. Bonds6

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

1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 106420807) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID106420807
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1noc(CCNC(=O)NCC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C13H20N4O4/c1-9-16-10(21-17-9)4-7-14-12(20)15-8-13(11(18)19)5-2-3-6-13/h2-8H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyGKTWRAQSPZBORT-UHFFFAOYSA-N
XLogP0.86
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 113363786
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
1-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119310003
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111115226
1-[(1-hydroxycyclohexyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 110936721
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115362208
2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 104844432
3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420605
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434434
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 103822021
1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436856

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 106420807) is 1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is Cc1noc(CCNC(=O)NCC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GKTWRAQSPZBORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-9-16-10(21-17-9)4-7-14-12(20)15-8-13(11(18)19)5-2-3-6-13/h2-8H2,1H3,(H,18,19)(H2,14,15,20).
What are the key properties of 1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106420807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).