3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid

C12H18N4O4 — CID 106420257

IUPAC3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCc1nc(CCNC(=O)N(CCC(=O)O)C2CC2)no1
InChIInChI=1S/C12H18N4O4/c1-8-14-10(15-20-8)4-6-13-12(19)16(9-2-3-9)7-5-11(17)18/h9H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyDGWRQBJDQFRMBE-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.57
Rot. Bonds7

About 3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid

3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 106420257) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
PubChem CID106420257
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCc1nc(CCNC(=O)N(CCC(=O)O)C2CC2)no1
InChIInChI=1S/C12H18N4O4/c1-8-14-10(15-20-8)4-6-13-12(19)16(9-2-3-9)7-5-11(17)18/h9H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyDGWRQBJDQFRMBE-UHFFFAOYSA-N
XLogP0.57
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 106038213
3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid
CID 79241978
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid
CID 106178497
3-[cyclopropyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 60844374
4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106420234
4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid
CID 114185894
2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106419572
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
CID 106420593
2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240581
3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid
CID 106374477

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid (CID 106420257) is 3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid is Cc1nc(CCNC(=O)N(CCC(=O)O)C2CC2)no1.
What is the InChIKey of 3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is DGWRQBJDQFRMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8-14-10(15-20-8)4-6-13-12(19)16(9-2-3-9)7-5-11(17)18/h9H,2-7H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 106420257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).