methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate

C14H22N2O3S — CID 69336312

IUPACmethyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
SMILESCCOC[C@@H]1CCCN1c1ncc(CCC(=O)OC)s1
InChIInChI=1S/C14H22N2O3S/c1-3-19-10-11-5-4-8-16(11)14-15-9-12(20-14)6-7-13(17)18-2/h9,11H,3-8,10H2,1-2H3/t11-/m0/s1
InChIKeyNNPGALQISNWVLP-NSHDSACASA-N
MW298.41 g/mol
LogP2.25
Rot. Bonds7

About methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate

methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate (PubChem CID 69336312) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
PubChem CID69336312
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Namemethyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
SMILESCCOC[C@@H]1CCCN1c1ncc(CCC(=O)OC)s1
InChIInChI=1S/C14H22N2O3S/c1-3-19-10-11-5-4-8-16(11)14-15-9-12(20-14)6-7-13(17)18-2/h9,11H,3-8,10H2,1-2H3/t11-/m0/s1
InChIKeyNNPGALQISNWVLP-NSHDSACASA-N
XLogP2.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate with MolForge

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Related Compounds

methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
CID 69336181
methyl 3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
CID 69336184
3-[2-[2-(2,2-Difluoropiperidin-1-yl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoic acid
CID 140104305
2,2-Difluoro-3-[2-(morpholin-4-yl)-1,3-thiazol-5-yl]propanoic acid
CID 165844440
3,3-Difluoro-3-[2-(morpholin-4-yl)-1,3-thiazol-5-yl]propanoic acid
CID 165969265
Ethyl 3-(2-acetamido-1,3-thiazol-5-yl)propanoate
CID 10131018
Methyl 3-[2-(butanoylamino)-1,3-thiazol-5-yl]propanoate
CID 22170754
tert-butyl (2S,4S)-1-[5-(3-methoxy-3-oxopropyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpyrrolidine-2-carboxylate
CID 69335192
tert-butyl (2S)-1-[5-(3-methoxy-3-oxopropyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylpyrrolidine-2-carboxylate
CID 69335196
methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride
CID 69335446
methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
CID 69335447
methyl 3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride
CID 69335448

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate?
The IUPAC name of methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate (CID 69336312) is methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate?
The canonical SMILES for methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate is CCOC[C@@H]1CCCN1c1ncc(CCC(=O)OC)s1.
What is the InChIKey of methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate?
The InChIKey is NNPGALQISNWVLP-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-19-10-11-5-4-8-16(11)14-15-9-12(20-14)6-7-13(17)18-2/h9,11H,3-8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate?
methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate has a molecular weight of 298.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate is sourced from PubChem (CID 69336312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).