2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid

C10H16N4O4 — CID 106404733

IUPAC2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)NCCc1ncon1)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-2-7(9(15)16)5-12-10(17)11-4-3-8-13-6-18-14-8/h6-7H,2-5H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeyAQKIZUHVNSUZPP-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.02
Rot. Bonds7

About 2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid

2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid (PubChem CID 106404733) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid
PubChem CID106404733
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)NCCc1ncon1)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-2-7(9(15)16)5-12-10(17)11-4-3-8-13-6-18-14-8/h6-7H,2-5H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeyAQKIZUHVNSUZPP-UHFFFAOYSA-N
XLogP0.02
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106397697
(2S)-3-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106404555
4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 106403284
(2S,3R)-3-hydroxy-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 114184521
(2R)-4-methylsulfanyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106404594
(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106404544
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 81177239
(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106397686
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106409914
1-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106404307

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid?
The IUPAC name of 2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid (CID 106404733) is 2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid is CCC(CNC(=O)NCCc1ncon1)C(=O)O.
What is the InChIKey of 2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid?
The InChIKey is AQKIZUHVNSUZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-2-7(9(15)16)5-12-10(17)11-4-3-8-13-6-18-14-8/h6-7H,2-5H2,1H3,(H,15,16)(H2,11,12,17).
What are the key properties of 2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid?
2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid has a molecular weight of 256.26 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 106404733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).