cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C11H15N3O4 — CID 114092025

IUPACcis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1noc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O4/c1-6-13-9(18-14-6)5-12-10(15)7-2-3-8(4-7)11(16)17/h7-8H,2-5H2,1H3,(H,12,15)(H,16,17)/t7-,8+/m1/s1
InChIKeySNMJPCPTFDRJAV-SFYZADRCSA-N
MW253.26 g/mol
LogP0.50
Rot. Bonds4

About cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092025) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092025
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namecis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1noc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O4/c1-6-13-9(18-14-6)5-12-10(15)7-2-3-8(4-7)11(16)17/h7-8H,2-5H2,1H3,(H,12,15)(H,16,17)/t7-,8+/m1/s1
InChIKeySNMJPCPTFDRJAV-SFYZADRCSA-N
XLogP0.50
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470
cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513257
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383131
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628447
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783675
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975923
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 56724145
2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 61014873
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 103796117
(2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922501

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 114092025) is cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is Cc1noc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n1.
What is the InChIKey of cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is SNMJPCPTFDRJAV-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-13-9(18-14-6)5-12-10(15)7-2-3-8(4-7)11(16)17/h7-8H,2-5H2,1H3,(H,12,15)(H,16,17)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).