1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid

C10H17N5O2 — CID 55165979

IUPAC1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nnnn2C)C1
InChIInChI=1S/C10H17N5O2/c1-3-4-10(8(16)17)5-6-15(7-10)9-11-12-13-14(9)2/h3-7H2,1-2H3,(H,16,17)
InChIKeySYZPJMWQRLOSBE-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.29
Rot. Bonds4

About 1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid

1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55165979) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55165979
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nnnn2C)C1
InChIInChI=1S/C10H17N5O2/c1-3-4-10(8(16)17)5-6-15(7-10)9-11-12-13-14(9)2/h3-7H2,1-2H3,(H,16,17)
InChIKeySYZPJMWQRLOSBE-UHFFFAOYSA-N
XLogP0.29
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid (CID 55165979) is 1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2nnnn2C)C1.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is SYZPJMWQRLOSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-4-10(8(16)17)5-6-15(7-10)9-11-12-13-14(9)2/h3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid?
1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 239.28 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55165979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).