methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate

C11H15N3O3S — CID 47286807

IUPACmethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2nccs2)C1
InChIInChI=1S/C11H15N3O3S/c1-17-10(16)8-2-4-14(6-8)7-9(15)13-11-12-3-5-18-11/h3,5,8H,2,4,6-7H2,1H3,(H,12,13,15)
InChIKeyHPTFWFBVHUYYBV-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.58
Rot. Bonds4

About methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate

methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate (PubChem CID 47286807) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate
PubChem CID47286807
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Namemethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2nccs2)C1
InChIInChI=1S/C11H15N3O3S/c1-17-10(16)8-2-4-14(6-8)7-9(15)13-11-12-3-5-18-11/h3,5,8H,2,4,6-7H2,1H3,(H,12,13,15)
InChIKeyHPTFWFBVHUYYBV-UHFFFAOYSA-N
XLogP0.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(Thiazol-2-ylcarbamoylmethyl)-piperidine-3-carboxylic acid ethyl ester
CID 6463507
N-Thiazol-2-yl-succinamic acid methyl ester
CID 667794
2-Methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 664447
(3R)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 26967300
Ethyl 4-oxo-4-(thiazol-2-ylamino)butanoate
CID 28270039
(2S)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 41521613
2-Methylpropyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
CID 3929718
2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 47111186
5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic Acid
CID 4777977
methyl (3R,4S)-2-methylidene-5-oxo-4-(1,3-thiazol-2-ylamino)-4-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 2222328
methyl (3S,4R)-2-methylidene-5-oxo-4-(1,3-thiazol-2-ylamino)-4-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 2222329
1-[2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710017

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate (CID 47286807) is methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(CC(=O)Nc2nccs2)C1.
What is the InChIKey of methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate?
The InChIKey is HPTFWFBVHUYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-17-10(16)8-2-4-14(6-8)7-9(15)13-11-12-3-5-18-11/h3,5,8H,2,4,6-7H2,1H3,(H,12,13,15).
What are the key properties of methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate?
methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 47286807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).