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

C9H11N3O4 — CID 106394677

IUPACcis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)NCCc1ncno1
InChIInChI=1S/C9H11N3O4/c13-8(5-3-6(5)9(14)15)10-2-1-7-11-4-12-16-7/h4-6H,1-3H2,(H,10,13)(H,14,15)/t5-,6+/m1/s1
InChIKeyAFJDMTOEVJNMCF-RITPCOANSA-N
MW225.20 g/mol
LogP-0.55
Rot. Bonds5

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

cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 106394677) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID106394677
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Namecis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)NCCc1ncno1
InChIInChI=1S/C9H11N3O4/c13-8(5-3-6(5)9(14)15)10-2-1-7-11-4-12-16-7/h4-6H,1-3H2,(H,10,13)(H,14,15)/t5-,6+/m1/s1
InChIKeyAFJDMTOEVJNMCF-RITPCOANSA-N
XLogP-0.55
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 102606443
2-[2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790300
2-[(5-Methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790334
cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106394546
2-(1,2,4-Oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106394594
cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106394609
2,3-Dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 106394654
4-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 106394657
2-[2-(1,2,4-Oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106394661
2,2-Diethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 106394671
3-Methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 106394674
cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106394686

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 106394677) is cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1C(=O)NCCc1ncno1.
What is the InChIKey of cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is AFJDMTOEVJNMCF-RITPCOANSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-8(5-3-6(5)9(14)15)10-2-1-7-11-4-12-16-7/h4-6H,1-3H2,(H,10,13)(H,14,15)/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106394677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).