hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride

C16H24ClNO3 — CID 646573

IUPAChydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride
SMILESCOc1ccc(CC(=O)OC(C)CN2CCCC2)cc1.[Cl-].[H+]
InChIInChI=1S/C16H23NO3.ClH/c1-13(12-17-9-3-4-10-17)20-16(18)11-14-5-7-15(19-2)8-6-14;/h5-8,13H,3-4,9-12H2,1-2H3;1H
InChIKeyCJOVXQWNXBEZDQ-UHFFFAOYSA-N
MW313.82 g/mol
LogP-0.62
Rot. Bonds6

About hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride

hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride (PubChem CID 646573) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride.

Molecular Properties

Compound Namehydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride
PubChem CID646573
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Namehydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride
SMILESCOc1ccc(CC(=O)OC(C)CN2CCCC2)cc1.[Cl-].[H+]
InChIInChI=1S/C16H23NO3.ClH/c1-13(12-17-9-3-4-10-17)20-16(18)11-14-5-7-15(19-2)8-6-14;/h5-8,13H,3-4,9-12H2,1-2H3;1H
InChIKeyCJOVXQWNXBEZDQ-UHFFFAOYSA-N
XLogP-0.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride with MolForge

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

Launch Full Analysis

Related Compounds

1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate
CID 3781390
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
CID 86053966
1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride
CID 53351977
[1-(4-methoxyphenyl)-4-oxo-2-(pyrrolidin-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]pentyl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 76765466
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
CID 5204807
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394
2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 42900696

Frequently Asked Questions

What is the IUPAC name of hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride?
The IUPAC name of hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride (CID 646573) is hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride.
What is the SMILES notation for hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride?
The canonical SMILES for hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride is COc1ccc(CC(=O)OC(C)CN2CCCC2)cc1.[Cl-].[H+].
What is the InChIKey of hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride?
The InChIKey is CJOVXQWNXBEZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-13(12-17-9-3-4-10-17)20-16(18)11-14-5-7-15(19-2)8-6-14;/h5-8,13H,3-4,9-12H2,1-2H3;1H.
What are the key properties of hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride?
hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride has a molecular weight of 313.82 g/mol, XLogP of -0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride is sourced from PubChem (CID 646573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).