1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C10H13N3O3S — CID 61190979

IUPAC1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cnc(NC(=O)N2CCCC2C(=O)O)s1
InChIInChI=1S/C10H13N3O3S/c1-6-5-11-9(17-6)12-10(16)13-4-2-3-7(13)8(14)15/h5,7H,2-4H2,1H3,(H,14,15)(H,11,12,16)
InChIKeyMQWPEMXJIPYBAK-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.53
Rot. Bonds2

About 1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61190979) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61190979
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cnc(NC(=O)N2CCCC2C(=O)O)s1
InChIInChI=1S/C10H13N3O3S/c1-6-5-11-9(17-6)12-10(16)13-4-2-3-7(13)8(14)15/h5,7H,2-4H2,1H3,(H,14,15)(H,11,12,16)
InChIKeyMQWPEMXJIPYBAK-UHFFFAOYSA-N
XLogP1.53
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61190979) is 1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid is Cc1cnc(NC(=O)N2CCCC2C(=O)O)s1.
What is the InChIKey of 1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MQWPEMXJIPYBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-6-5-11-9(17-6)12-10(16)13-4-2-3-7(13)8(14)15/h5,7H,2-4H2,1H3,(H,14,15)(H,11,12,16).
What are the key properties of 1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61190979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).