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

C11H15N3O4 — CID 106394686

IUPACcis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)NCCc2ncno2)C1
InChIInChI=1S/C11H15N3O4/c15-10(7-1-2-8(5-7)11(16)17)12-4-3-9-13-6-14-18-9/h6-8H,1-5H2,(H,12,15)(H,16,17)/t7-,8+/m1/s1
InChIKeyHPUBTDYUSSNYCY-SFYZADRCSA-N
MW253.26 g/mol
LogP0.23
Rot. Bonds5

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

cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106394686) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106394686
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namecis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)NCCc2ncno2)C1
InChIInChI=1S/C11H15N3O4/c15-10(7-1-2-8(5-7)11(16)17)12-4-3-9-13-6-14-18-9/h6-8H,1-5H2,(H,12,15)(H,16,17)/t7-,8+/m1/s1
InChIKeyHPUBTDYUSSNYCY-SFYZADRCSA-N
XLogP0.23
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.23
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
cis-(1S,3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106394553
cis-(1S,3R)-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106394615
3-(1,2,4-Oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106394633
2-[1-[2-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106394652
2-[2-(1,2,4-Oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106394661
2-[1-[2-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106394668
6-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid
CID 106394673
3-Methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 106394674
cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106394677
4-Ethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106394685
3,3-Dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 106394690

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 106394686) is cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C(=O)NCCc2ncno2)C1.
What is the InChIKey of cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is HPUBTDYUSSNYCY-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-10(7-1-2-8(5-7)11(16)17)12-4-3-9-13-6-14-18-9/h6-8H,1-5H2,(H,12,15)(H,16,17)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106394686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).