3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid

C15H21N3O4S — CID 122094745

IUPAC3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ncc(C3CCOCC3)s2)C1
InChIInChI=1S/C15H21N3O4S/c1-15(12(19)20)4-5-18(9-15)14(21)17-13-16-8-11(23-13)10-2-6-22-7-3-10/h8,10H,2-7,9H2,1H3,(H,19,20)(H,16,17,21)
InChIKeyUASNUUUBUHHLOD-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.37
Rot. Bonds3

About 3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122094745) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122094745
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ncc(C3CCOCC3)s2)C1
InChIInChI=1S/C15H21N3O4S/c1-15(12(19)20)4-5-18(9-15)14(21)17-13-16-8-11(23-13)10-2-6-22-7-3-10/h8,10H,2-7,9H2,1H3,(H,19,20)(H,16,17,21)
InChIKeyUASNUUUBUHHLOD-UHFFFAOYSA-N
XLogP2.37
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093547
5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 128912509
3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091036
1-[(1S)-2,2-dimethylcyclopropyl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
CID 128789968
3-methyl-1-[[4-(oxan-4-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085120
1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122094283
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147322
3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63138087
N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
CID 126795862
3-methyl-1-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074778
1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
CID 128912506
1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090412

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122094745) is 3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2ncc(C3CCOCC3)s2)C1.
What is the InChIKey of 3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UASNUUUBUHHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-15(12(19)20)4-5-18(9-15)14(21)17-13-16-8-11(23-13)10-2-6-22-7-3-10/h8,10H,2-7,9H2,1H3,(H,19,20)(H,16,17,21).
What are the key properties of 3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 339.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122094745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).