2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid

C11H16N4O4 — CID 114184369

IUPAC2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)NCc1ncon1)C1CCCC1
InChIInChI=1S/C11H16N4O4/c16-10(17)6-15(8-3-1-2-4-8)11(18)12-5-9-13-7-19-14-9/h7-8H,1-6H2,(H,12,18)(H,16,17)
InChIKeyRSDRGGOHYHKKMI-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.61
Rot. Bonds5

About 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid

2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 114184369) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid
PubChem CID114184369
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)NCc1ncon1)C1CCCC1
InChIInChI=1S/C11H16N4O4/c16-10(17)6-15(8-3-1-2-4-8)11(18)12-5-9-13-7-19-14-9/h7-8H,1-6H2,(H,12,18)(H,16,17)
InChIKeyRSDRGGOHYHKKMI-UHFFFAOYSA-N
XLogP0.61
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,2,4-Oxadiazol-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114184374
2-[[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid
CID 167189421
2-[[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid
CID 167189684
2-[Cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 60834603
2-[Cyclopentyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 61864702
2-[Butan-2-yl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 61864911
2-(cyclopentylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396900
N-cyclopentyl-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
CID 106398957
2-[Butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid
CID 106402610
2-[Cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid
CID 106402769
2-[4-(1,2,4-Oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 106403029
2-[Tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid
CID 106403050

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid (CID 114184369) is 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid is O=C(O)CN(C(=O)NCc1ncon1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is RSDRGGOHYHKKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-10(17)6-15(8-3-1-2-4-8)11(18)12-5-9-13-7-19-14-9/h7-8H,1-6H2,(H,12,18)(H,16,17).
What are the key properties of 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid?
2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 268.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 114184369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).