4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid

C9H14N4O4 — CID 106403252

IUPAC4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)NCc1ncon1
InChIInChI=1S/C9H14N4O4/c1-6(2-3-8(14)15)12-9(16)10-4-7-11-5-17-13-7/h5-6H,2-4H2,1H3,(H,14,15)(H2,10,12,16)
InChIKeyADZHALPAGGXQFH-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.12
Rot. Bonds6

About 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid

4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid (PubChem CID 106403252) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid
PubChem CID106403252
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)NCc1ncon1
InChIInChI=1S/C9H14N4O4/c1-6(2-3-8(14)15)12-9(16)10-4-7-11-5-17-13-7/h5-6H,2-4H2,1H3,(H,14,15)(H2,10,12,16)
InChIKeyADZHALPAGGXQFH-UHFFFAOYSA-N
XLogP0.12
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106401316
(2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 106403079
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
(2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 106403428
2-[1,2,4-oxadiazol-3-ylmethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 106403446
2-chloro-N-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)propanamide
CID 106405226
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395520
2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106403233
4-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 64525497
3-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 106403568
1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 103670811
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid (CID 106403252) is 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid is CC(CCC(=O)O)NC(=O)NCc1ncon1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid?
The InChIKey is ADZHALPAGGXQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-6(2-3-8(14)15)12-9(16)10-4-7-11-5-17-13-7/h5-6H,2-4H2,1H3,(H,14,15)(H2,10,12,16).
What are the key properties of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid?
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid has a molecular weight of 242.23 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 106403252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).