2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C12H11N5O3 — CID 60941735

IUPAC2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H11N5O3/c18-11(8-5-9(8)12(19)20)13-7-3-1-2-6(4-7)10-14-16-17-15-10/h1-4,8-9H,5H2,(H,13,18)(H,19,20)(H,14,15,16,17)
InChIKeyVYHRGFJFDRVMJA-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.53
Rot. Bonds4

About 2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60941735) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60941735
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H11N5O3/c18-11(8-5-9(8)12(19)20)13-7-3-1-2-6(4-7)10-14-16-17-15-10/h1-4,8-9H,5H2,(H,13,18)(H,19,20)(H,14,15,16,17)
InChIKeyVYHRGFJFDRVMJA-UHFFFAOYSA-N
XLogP0.53
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60941735) is 2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VYHRGFJFDRVMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c18-11(8-5-9(8)12(19)20)13-7-3-1-2-6(4-7)10-14-16-17-15-10/h1-4,8-9H,5H2,(H,13,18)(H,19,20)(H,14,15,16,17).
What are the key properties of 2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60941735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).