(2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid

C15H15ClN4O3 — CID 122140680

IUPAC(2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCc1c(C(=O)N2CCC[C@@H]2C(=O)O)nnn1-c1ccccc1Cl
InChIInChI=1S/C15H15ClN4O3/c1-9-13(14(21)19-8-4-7-12(19)15(22)23)17-18-20(9)11-6-3-2-5-10(11)16/h2-3,5-6,12H,4,7-8H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyVOAZADVQCVUCGG-GFCCVEGCSA-N
MW334.76 g/mol
LogP1.92
Rot. Bonds3

About (2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 122140680) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is (2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID122140680
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name(2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCc1c(C(=O)N2CCC[C@@H]2C(=O)O)nnn1-c1ccccc1Cl
InChIInChI=1S/C15H15ClN4O3/c1-9-13(14(21)19-8-4-7-12(19)15(22)23)17-18-20(9)11-6-3-2-5-10(11)16/h2-3,5-6,12H,4,7-8H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyVOAZADVQCVUCGG-GFCCVEGCSA-N
XLogP1.92
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]piperidine-3-carboxylic acid
CID 75469060
(2R)-1-[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370990
1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 120514979
[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488163
3-[(3R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 129415250
(2S)-1-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365116
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]methanone
CID 124611214
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]methanone;hydrochloride
CID 120817403
(2R)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 86784862
(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 95175654
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
1-(3-chloro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 63194302

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid (CID 122140680) is (2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid is Cc1c(C(=O)N2CCC[C@@H]2C(=O)O)nnn1-c1ccccc1Cl.
What is the InChIKey of (2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VOAZADVQCVUCGG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c1-9-13(14(21)19-8-4-7-12(19)15(22)23)17-18-20(9)11-6-3-2-5-10(11)16/h2-3,5-6,12H,4,7-8H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 334.76 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122140680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).