methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride

C12H19ClN2O3S — CID 69335446

IUPACmethyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride
SMILESCOC(=O)CCc1cnc(N2CCC[C@@H]2OC)s1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-16-10-4-3-7-14(10)12-13-8-9(18-12)5-6-11(15)17-2;/h8,10H,3-7H2,1-2H3;1H/t10-;/m0./s1
InChIKeyWNJOBOMQXFPYAM-PPHPATTJSA-N
MW306.81 g/mol
LogP2.24
Rot. Bonds5

About methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride

methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride (PubChem CID 69335446) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride
PubChem CID69335446
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Namemethyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride
SMILESCOC(=O)CCc1cnc(N2CCC[C@@H]2OC)s1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-16-10-4-3-7-14(10)12-13-8-9(18-12)5-6-11(15)17-2;/h8,10H,3-7H2,1-2H3;1H/t10-;/m0./s1
InChIKeyWNJOBOMQXFPYAM-PPHPATTJSA-N
XLogP2.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride (CID 69335446) is methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride is COC(=O)CCc1cnc(N2CCC[C@@H]2OC)s1.Cl.
What is the InChIKey of methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride?
The InChIKey is WNJOBOMQXFPYAM-PPHPATTJSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-16-10-4-3-7-14(10)12-13-8-9(18-12)5-6-11(15)17-2;/h8,10H,3-7H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride?
methyl 3-[2-[(2S)-2-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride has a molecular weight of 306.81 g/mol, XLogP of 2.24, 5 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-methoxypyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride is sourced from PubChem (CID 69335446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).