2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid

C13H22N4O4 — CID 106420330

IUPAC2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
SMILESCc1nc(CCNC(=O)NC(C)(C)C(C)(C)C(=O)O)no1
InChIInChI=1S/C13H22N4O4/c1-8-15-9(17-21-8)6-7-14-11(20)16-13(4,5)12(2,3)10(18)19/h6-7H2,1-5H3,(H,18,19)(H2,14,16,20)
InChIKeyXLQXLCMNNGDOSV-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.11
Rot. Bonds6

About 2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid

2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 106420330) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
PubChem CID106420330
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
SMILESCc1nc(CCNC(=O)NC(C)(C)C(C)(C)C(=O)O)no1
InChIInChI=1S/C13H22N4O4/c1-8-15-9(17-21-8)6-7-14-11(20)16-13(4,5)12(2,3)10(18)19/h6-7H2,1-5H3,(H,18,19)(H2,14,16,20)
InChIKeyXLQXLCMNNGDOSV-UHFFFAOYSA-N
XLogP1.11
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037
2,3-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-4-oxobut-2-enoic acid
CID 106419376
2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106416217
2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 106420290
2,2,3-trimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 65263958
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106420382
2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106420280
2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid
CID 68754902
2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 65266580
1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 106414658
1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,4,5-trifluorophenyl)urea
CID 91907174

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid (CID 106420330) is 2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid is Cc1nc(CCNC(=O)NC(C)(C)C(C)(C)C(=O)O)no1.
What is the InChIKey of 2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is XLQXLCMNNGDOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-8-15-9(17-21-8)6-7-14-11(20)16-13(4,5)12(2,3)10(18)19/h6-7H2,1-5H3,(H,18,19)(H2,14,16,20).
What are the key properties of 2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid?
2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 298.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 106420330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).