2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid

C8H12N4O5 — CID 106404133

IUPAC2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
SMILESO=C(NCCc1ncno1)NCC(O)C(=O)O
InChIInChI=1S/C8H12N4O5/c13-5(7(14)15)3-10-8(16)9-2-1-6-11-4-12-17-6/h4-5,13H,1-3H2,(H,14,15)(H2,9,10,16)
InChIKeyYOOYRQOURWBABQ-UHFFFAOYSA-N
MW244.21 g/mol
LogP-1.64
Rot. Bonds6

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

2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 106404133) has the molecular formula C8H12N4O5 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
PubChem CID106404133
Molecular FormulaC8H12N4O5
Molecular Weight244.21 g/mol
Exact Mass244.08
IUPAC Name2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
SMILESO=C(NCCc1ncno1)NCC(O)C(=O)O
InChIInChI=1S/C8H12N4O5/c13-5(7(14)15)3-10-8(16)9-2-1-6-11-4-12-17-6/h4-5,13H,1-3H2,(H,14,15)(H2,9,10,16)
InChIKeyYOOYRQOURWBABQ-UHFFFAOYSA-N
XLogP-1.64
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
(2S)-4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106403863
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 104889379
(2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid
CID 114184488
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397296
2-[[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 106403853
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
3-[[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]benzoic acid
CID 106403730
4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106403707
3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106403775
4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 106404004
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol
CID 106399669

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid (CID 106404133) is 2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid is O=C(NCCc1ncno1)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is YOOYRQOURWBABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O5/c13-5(7(14)15)3-10-8(16)9-2-1-6-11-4-12-17-6/h4-5,13H,1-3H2,(H,14,15)(H2,9,10,16).
What are the key properties of 2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 244.21 g/mol, XLogP of -1.64, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106404133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).