[3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid

C9H14N4O5 — CID 66761046

IUPAC[3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid
SMILESCCc1noc(C(CNC(=O)O)CNC(=O)O)n1
InChIInChI=1S/C9H14N4O5/c1-2-6-12-7(18-13-6)5(3-10-8(14)15)4-11-9(16)17/h5,10-11H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyMSDCPSYYJFHFMB-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.25
Rot. Bonds6

About [3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid

[3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid (PubChem CID 66761046) has the molecular formula C9H14N4O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is [3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid.

Molecular Properties

Compound Name[3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid
PubChem CID66761046
Molecular FormulaC9H14N4O5
Molecular Weight258.23 g/mol
Exact Mass258.10
IUPAC Name[3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid
SMILESCCc1noc(C(CNC(=O)O)CNC(=O)O)n1
InChIInChI=1S/C9H14N4O5/c1-2-6-12-7(18-13-6)5(3-10-8(14)15)4-11-9(16)17/h5,10-11H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyMSDCPSYYJFHFMB-UHFFFAOYSA-N
XLogP0.25
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid?
The IUPAC name of [3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid (CID 66761046) is [3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid.
What is the SMILES notation for [3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid?
The canonical SMILES for [3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid is CCc1noc(C(CNC(=O)O)CNC(=O)O)n1.
What is the InChIKey of [3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid?
The InChIKey is MSDCPSYYJFHFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5/c1-2-6-12-7(18-13-6)5(3-10-8(14)15)4-11-9(16)17/h5,10-11H,2-4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of [3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid?
[3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid has a molecular weight of 258.23 g/mol, XLogP of 0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid is sourced from PubChem (CID 66761046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).