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

C11H14N4O4 — CID 102742347

IUPAC1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H14N4O4/c16-8(14-11(3-4-11)10(17)18)7-13-9(19-15-7)6-2-1-5-12-6/h6,12H,1-5H2,(H,14,16)(H,17,18)
InChIKeyIKKRUQYVZNSHEZ-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.16
Rot. Bonds4

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

1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 102742347) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID102742347
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H14N4O4/c16-8(14-11(3-4-11)10(17)18)7-13-9(19-15-7)6-2-1-5-12-6/h6,12H,1-5H2,(H,14,16)(H,17,18)
InChIKeyIKKRUQYVZNSHEZ-UHFFFAOYSA-N
XLogP-0.16
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 102742427
N-(1-ethylcyclobutyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971197
1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 102742459
N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971411
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102790751
N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970936
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742366
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742599
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553

Frequently Asked Questions

What is the IUPAC name of 1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid (CID 102742347) is 1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1noc(C2CCCN2)n1.
What is the InChIKey of 1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is IKKRUQYVZNSHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c16-8(14-11(3-4-11)10(17)18)7-13-9(19-15-7)6-2-1-5-12-6/h6,12H,1-5H2,(H,14,16)(H,17,18).
What are the key properties of 1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102742347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).