2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid

C10H13N3O3S — CID 46948531

IUPAC2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-6-7(17-12-11-6)8(14)13-5-3-4-10(13,2)9(15)16/h3-5H2,1-2H3,(H,15,16)
InChIKeySEVQKRDQMDTSGV-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.93
Rot. Bonds2

About 2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid

2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 46948531) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID46948531
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-6-7(17-12-11-6)8(14)13-5-3-4-10(13,2)9(15)16/h3-5H2,1-2H3,(H,15,16)
InChIKeySEVQKRDQMDTSGV-UHFFFAOYSA-N
XLogP0.93
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 49786418
(2R)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 28777208
(2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 28777211
(2R)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777878
(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777880
(3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 28777967
(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 28777969
(2R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 28778049
(2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 28778051
(2R,4R)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778334
(2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778336
(2S,4R)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 46948531) is 2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is Cc1nnsc1C(=O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SEVQKRDQMDTSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-6-7(17-12-11-6)8(14)13-5-3-4-10(13,2)9(15)16/h3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 46948531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).