2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid

C10H14N4O6 — CID 106402767

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid
SMILESCc1nc(CNC(=O)NC(CCC(=O)O)C(=O)O)no1
InChIInChI=1S/C10H14N4O6/c1-5-12-7(14-20-5)4-11-10(19)13-6(9(17)18)2-3-8(15)16/h6H,2-4H2,1H3,(H,15,16)(H,17,18)(H2,11,13,19)
InChIKeyOSGWGJJDAKSEMM-UHFFFAOYSA-N
MW286.24 g/mol
LogP-0.50
Rot. Bonds7

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid (PubChem CID 106402767) has the molecular formula C10H14N4O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid
PubChem CID106402767
Molecular FormulaC10H14N4O6
Molecular Weight286.24 g/mol
Exact Mass286.09
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid
SMILESCc1nc(CNC(=O)NC(CCC(=O)O)C(=O)O)no1
InChIInChI=1S/C10H14N4O6/c1-5-12-7(14-20-5)4-11-10(19)13-6(9(17)18)2-3-8(15)16/h6H,2-4H2,1H3,(H,15,16)(H,17,18)(H2,11,13,19)
InChIKeyOSGWGJJDAKSEMM-UHFFFAOYSA-N
XLogP-0.50
TPSA154.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-hydroxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114184301
(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106420382
(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106374550
(2S)-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanedioic acid
CID 62309110
3-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-5-oxopentanoic acid
CID 106394544
1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507731
acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]pentanedioic acid
CID 145150883
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
(2S)-2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106005543
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 106401677
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanedioic acid
CID 105419575
(2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 106403079

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid (CID 106402767) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid is Cc1nc(CNC(=O)NC(CCC(=O)O)C(=O)O)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid?
The InChIKey is OSGWGJJDAKSEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O6/c1-5-12-7(14-20-5)4-11-10(19)13-6(9(17)18)2-3-8(15)16/h6H,2-4H2,1H3,(H,15,16)(H,17,18)(H2,11,13,19).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid has a molecular weight of 286.24 g/mol, XLogP of -0.50, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid is sourced from PubChem (CID 106402767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).