2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid

C8H11N5O5 — CID 106403233

IUPAC2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCc1ncon1
InChIInChI=1S/C8H11N5O5/c14-6(9-3-7(15)16)2-11-8(17)10-1-5-12-4-18-13-5/h4H,1-3H2,(H,9,14)(H,15,16)(H2,10,11,17)
InChIKeyARXGOZSQRZOAOV-UHFFFAOYSA-N
MW257.21 g/mol
LogP-1.93
Rot. Bonds6

About 2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 106403233) has the molecular formula C8H11N5O5 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID106403233
Molecular FormulaC8H11N5O5
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCc1ncon1
InChIInChI=1S/C8H11N5O5/c14-6(9-3-7(15)16)2-11-8(17)10-1-5-12-4-18-13-5/h4H,1-3H2,(H,9,14)(H,15,16)(H2,10,11,17)
InChIKeyARXGOZSQRZOAOV-UHFFFAOYSA-N
XLogP-1.93
TPSA146.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-Trifluoro-2-methyl-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)propanoic acid
CID 106403556
2-[2-(1,2,4-Oxadiazol-3-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106404478
2-[1,2,4-Oxadiazol-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114184374
2-[[3-(Aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid
CID 123911890
2-(1,2,4-Oxadiazol-3-ylmethylamino)acetic acid
CID 43466222
2-(1,2,4-Oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
2-[[2-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 61863866
2-[Methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 61865309
2-[Ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 61865312
2-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 61865511
2-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl-propylamino]acetic acid
CID 61865515
(2S)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 61865720

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid (CID 106403233) is 2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)NCc1ncon1.
What is the InChIKey of 2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is ARXGOZSQRZOAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O5/c14-6(9-3-7(15)16)2-11-8(17)10-1-5-12-4-18-13-5/h4H,1-3H2,(H,9,14)(H,15,16)(H2,10,11,17).
What are the key properties of 2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 257.21 g/mol, XLogP of -1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 106403233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).