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

C12H18N4O4 — CID 64701479

IUPAC2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid
SMILESCc1noc(CNC(=O)NC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C12H18N4O4/c1-8-14-9(20-16-8)7-13-11(19)15-12(6-10(17)18)4-2-3-5-12/h2-7H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyRXDSEFHDQXLFEO-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.96
Rot. Bonds5

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

2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid (PubChem CID 64701479) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid
PubChem CID64701479
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid
SMILESCc1noc(CNC(=O)NC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C12H18N4O4/c1-8-14-9(20-16-8)7-13-11(19)15-12(6-10(17)18)4-2-3-5-12/h2-7H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyRXDSEFHDQXLFEO-UHFFFAOYSA-N
XLogP0.96
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 110936721
2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 106374503
2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64700291
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea
CID 56825522
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027204
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 113363786
2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 63645313
2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107142408
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63143567

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid (CID 64701479) is 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid is Cc1noc(CNC(=O)NC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
The InChIKey is RXDSEFHDQXLFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8-14-9(20-16-8)7-13-11(19)15-12(6-10(17)18)4-2-3-5-12/h2-7H2,1H3,(H,17,18)(H2,13,15,19).
What are the key properties of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64701479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).