(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid

C15H17N5O3 — CID 119370606

IUPAC(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3C(=O)O)n2)cc1
InChIInChI=1S/C15H17N5O3/c1-10-4-6-11(7-5-10)14-16-18-20(17-14)9-13(21)19-8-2-3-12(19)15(22)23/h4-7,12H,2-3,8-9H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyUTGXBQLUCXDQLV-GFCCVEGCSA-N
MW315.33 g/mol
LogP0.72
Rot. Bonds4

About (2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119370606) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is (2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119370606
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3C(=O)O)n2)cc1
InChIInChI=1S/C15H17N5O3/c1-10-4-6-11(7-5-10)14-16-18-20(17-14)9-13(21)19-8-2-3-12(19)15(22)23/h4-7,12H,2-3,8-9H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyUTGXBQLUCXDQLV-GFCCVEGCSA-N
XLogP0.72
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124702735
1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 120572612
2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134813305
3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide
CID 120580017
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 46806674
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 119647165
1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 46979749
2-[5-(4-methylphenyl)tetrazol-2-yl]-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 11906024
(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922396
(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922353
(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371423

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid (CID 119370606) is (2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid is Cc1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3C(=O)O)n2)cc1.
What is the InChIKey of (2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UTGXBQLUCXDQLV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10-4-6-11(7-5-10)14-16-18-20(17-14)9-13(21)19-8-2-3-12(19)15(22)23/h4-7,12H,2-3,8-9H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).