1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid

C8H9N3O4 — CID 65452844

IUPAC1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1nc(C(=O)NC2(C(=O)O)CC2)no1
InChIInChI=1S/C8H9N3O4/c1-4-9-5(11-15-4)6(12)10-8(2-3-8)7(13)14/h2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyGCACXKAICCBSNJ-UHFFFAOYSA-N
MW211.18 g/mol
LogP-0.27
Rot. Bonds3

About 1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid

1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 65452844) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID65452844
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1nc(C(=O)NC2(C(=O)O)CC2)no1
InChIInChI=1S/C8H9N3O4/c1-4-9-5(11-15-4)6(12)10-8(2-3-8)7(13)14/h2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyGCACXKAICCBSNJ-UHFFFAOYSA-N
XLogP-0.27
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 102742347
1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82760116
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 66335098
1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 102742427
bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
1-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158705
N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 167767532
2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid
CID 115429755
1-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56811893
1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 65451768
2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid
CID 65284802

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid (CID 65452844) is 1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid is Cc1nc(C(=O)NC2(C(=O)O)CC2)no1.
What is the InChIKey of 1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is GCACXKAICCBSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-4-9-5(11-15-4)6(12)10-8(2-3-8)7(13)14/h2-3H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 211.18 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65452844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).