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

C9H11N3O4 — CID 106394546

IUPACcis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)no1
InChIInChI=1S/C9H11N3O4/c1-4-11-7(12-16-4)3-10-8(13)5-2-6(5)9(14)15/h5-6H,2-3H2,1H3,(H,10,13)(H,14,15)/t5-,6+/m1/s1
InChIKeyUYGFYYRRSZQCPY-RITPCOANSA-N
MW225.20 g/mol
LogP-0.29
Rot. Bonds4

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

cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 106394546) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID106394546
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Namecis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)no1
InChIInChI=1S/C9H11N3O4/c1-4-11-7(12-16-4)3-10-8(13)5-2-6(5)9(14)15/h5-6H,2-3H2,1H3,(H,10,13)(H,14,15)/t5-,6+/m1/s1
InChIKeyUYGFYYRRSZQCPY-RITPCOANSA-N
XLogP-0.29
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 106394546) is cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is Cc1nc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)no1.
What is the InChIKey of cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UYGFYYRRSZQCPY-RITPCOANSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-4-11-7(12-16-4)3-10-8(13)5-2-6(5)9(14)15/h5-6H,2-3H2,1H3,(H,10,13)(H,14,15)/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106394546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).