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

C12H17N3O3S — CID 63147322

IUPAC3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncc(CNC(=O)N2CCC(C)(C(=O)O)C2)s1
InChIInChI=1S/C12H17N3O3S/c1-8-13-5-9(19-8)6-14-11(18)15-4-3-12(2,7-15)10(16)17/h5H,3-4,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyFUXAIWDRYIDPKM-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.46
Rot. Bonds3

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

3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63147322) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63147322
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncc(CNC(=O)N2CCC(C)(C(=O)O)C2)s1
InChIInChI=1S/C12H17N3O3S/c1-8-13-5-9(19-8)6-14-11(18)15-4-3-12(2,7-15)10(16)17/h5H,3-4,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyFUXAIWDRYIDPKM-UHFFFAOYSA-N
XLogP1.46
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methoxycarbonylthiophen-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122124215
3-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004642
1-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 65245197
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114184272
(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
CID 97074651
1-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 115991358
1-[(4-carboxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122019901
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122001409
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63136472
1-[(4-tert-butyl-1,3-thiazol-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122001026
3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 63147322) is 3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is Cc1ncc(CNC(=O)N2CCC(C)(C(=O)O)C2)s1.
What is the InChIKey of 3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is FUXAIWDRYIDPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-13-5-9(19-8)6-14-11(18)15-4-3-12(2,7-15)10(16)17/h5H,3-4,6-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).