ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C16H23N3O5S — CID 9365290

IUPACethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)n1
InChIInChI=1S/C16H23N3O5S/c1-4-24-14(21)6-12-9-25-16(17-12)18-15(22)11-5-13(20)19(7-11)10(2)8-23-3/h9-11H,4-8H2,1-3H3,(H,17,18,22)/t10-,11+/m0/s1
InChIKeyXVTWNVOYJLXFIZ-WDEREUQCSA-N
MW369.44 g/mol
LogP1.07
Rot. Bonds8

About ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 9365290) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID9365290
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Nameethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)n1
InChIInChI=1S/C16H23N3O5S/c1-4-24-14(21)6-12-9-25-16(17-12)18-15(22)11-5-13(20)19(7-11)10(2)8-23-3/h9-11H,4-8H2,1-3H3,(H,17,18,22)/t10-,11+/m0/s1
InChIKeyXVTWNVOYJLXFIZ-WDEREUQCSA-N
XLogP1.07
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 9365356
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 9365269
ethyl 2-[2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 16602610
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 97170705
(3S)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7438469
tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46524628
ethyl 2-[2-[(4-tert-butylcyclohexanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 46510209
(3R)-N-(3,5-dimethylphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449876
ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 99754268
(3S)-N-(1,3-benzothiazol-2-yl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364846
ethyl 2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9365051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 9365290) is ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)n1.
What is the InChIKey of ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is XVTWNVOYJLXFIZ-WDEREUQCSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-4-24-14(21)6-12-9-25-16(17-12)18-15(22)11-5-13(20)19(7-11)10(2)8-23-3/h9-11H,4-8H2,1-3H3,(H,17,18,22)/t10-,11+/m0/s1.
What are the key properties of ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 369.44 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9365290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).