4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

C10H16N6O3 — CID 55231495

IUPAC4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CC(C)C(C(=O)O)C1)c1nn[nH]n1
InChIInChI=1S/C10H16N6O3/c1-5-3-16(4-7(5)9(17)18)10(19)11-6(2)8-12-14-15-13-8/h5-7H,3-4H2,1-2H3,(H,11,19)(H,17,18)(H,12,13,14,15)
InChIKeySJFJIQZMZFXXEM-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.38
Rot. Bonds3

About 4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 55231495) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID55231495
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CC(C)C(C(=O)O)C1)c1nn[nH]n1
InChIInChI=1S/C10H16N6O3/c1-5-3-16(4-7(5)9(17)18)10(19)11-6(2)8-12-14-15-13-8/h5-7H,3-4H2,1-2H3,(H,11,19)(H,17,18)(H,12,13,14,15)
InChIKeySJFJIQZMZFXXEM-UHFFFAOYSA-N
XLogP-0.38
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 55231495) is 4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is CC(NC(=O)N1CC(C)C(C(=O)O)C1)c1nn[nH]n1.
What is the InChIKey of 4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SJFJIQZMZFXXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-5-3-16(4-7(5)9(17)18)10(19)11-6(2)8-12-14-15-13-8/h5-7H,3-4H2,1-2H3,(H,11,19)(H,17,18)(H,12,13,14,15).
What are the key properties of 4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55231495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).