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

C12H16N4O4 — CID 102742459

IUPAC1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H16N4O4/c17-9(14-6-12(3-4-12)11(18)19)8-15-10(20-16-8)7-2-1-5-13-7/h7,13H,1-6H2,(H,14,17)(H,18,19)
InChIKeyIILVDENUKNHQMF-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.09
Rot. Bonds5

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

1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 102742459) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID102742459
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H16N4O4/c17-9(14-6-12(3-4-12)11(18)19)8-15-10(20-16-8)7-2-1-5-13-7/h7,13H,1-6H2,(H,14,17)(H,18,19)
InChIKeyIILVDENUKNHQMF-UHFFFAOYSA-N
XLogP0.09
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 102742427
N-[(3-methoxyoxolan-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742534
N-(2-pyridin-4-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742148
3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742366
5-pyrrolidin-2-yl-N-(thian-4-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104971074
N-(1-ethylcyclobutyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971197
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970863
5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide
CID 104971182
methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 107222801
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 106255235

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 102742459) is 1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1noc(C2CCCN2)n1.
What is the InChIKey of 1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IILVDENUKNHQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c17-9(14-6-12(3-4-12)11(18)19)8-15-10(20-16-8)7-2-1-5-13-7/h7,13H,1-6H2,(H,14,17)(H,18,19).
What are the key properties of 1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.09, 5 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]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102742459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).