(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid

C11H14N4O3S — CID 92701446

IUPAC(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C11H14N4O3S/c16-8-4-2-6-15(8)11-13-12-10(19-11)14-5-1-3-7(14)9(17)18/h7H,1-6H2,(H,17,18)/t7-/m1/s1
InChIKeyVUKLYSAOEKRPIT-SSDOTTSWSA-N
MW282.33 g/mol
LogP0.72
Rot. Bonds3

About (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid

(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 92701446) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID92701446
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C11H14N4O3S/c16-8-4-2-6-15(8)11-13-12-10(19-11)14-5-1-3-7(14)9(17)18/h7H,1-6H2,(H,17,18)/t7-/m1/s1
InChIKeyVUKLYSAOEKRPIT-SSDOTTSWSA-N
XLogP0.72
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 22513528
(2S)-N-[(4-methylphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736824
N-(4-ethylphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 22513546
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-propylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 22513577
(2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92750444
N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46271420
(2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736847
N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344989
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344951
(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 92736855
N-[(4-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46271444
(2S)-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92750437

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid (CID 92701446) is (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1.
What is the InChIKey of (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is VUKLYSAOEKRPIT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N4O3S/c16-8-4-2-6-15(8)11-13-12-10(19-11)14-5-1-3-7(14)9(17)18/h7H,1-6H2,(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid?
(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 92701446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).