3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

C9H13N5O3 — CID 103550609

IUPAC3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2nn[nH]n2)C1
InChIInChI=1S/C9H13N5O3/c15-8(10-4-7-11-13-14-12-7)5-1-2-6(3-5)9(16)17/h5-6H,1-4H2,(H,10,15)(H,16,17)(H,11,12,13,14)
InChIKeyNFYRSROETHUCGY-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.68
Rot. Bonds4

About 3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103550609) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103550609
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2nn[nH]n2)C1
InChIInChI=1S/C9H13N5O3/c15-8(10-4-7-11-13-14-12-7)5-1-2-6(3-5)9(16)17/h5-6H,1-4H2,(H,10,15)(H,16,17)(H,11,12,13,14)
InChIKeyNFYRSROETHUCGY-UHFFFAOYSA-N
XLogP-0.68
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103550609) is 3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCc2nn[nH]n2)C1.
What is the InChIKey of 3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is NFYRSROETHUCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c15-8(10-4-7-11-13-14-12-7)5-1-2-6(3-5)9(16)17/h5-6H,1-4H2,(H,10,15)(H,16,17)(H,11,12,13,14).
What are the key properties of 3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).