methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate

C16H24N2O3 — CID 146418738

IUPACmethyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCN1CC[C@@H](N(C)C)C1
InChIInChI=1S/C16H24N2O3/c1-17(2)13-8-9-18(12-13)10-11-21-15-7-5-4-6-14(15)16(19)20-3/h4-7,13H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyUSOCVRMYAAMDOC-CYBMUJFWSA-N
MW292.38 g/mol
LogP1.49
Rot. Bonds6

About methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate

methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate (PubChem CID 146418738) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate
PubChem CID146418738
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCN1CC[C@@H](N(C)C)C1
InChIInChI=1S/C16H24N2O3/c1-17(2)13-8-9-18(12-13)10-11-21-15-7-5-4-6-14(15)16(19)20-3/h4-7,13H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyUSOCVRMYAAMDOC-CYBMUJFWSA-N
XLogP1.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzenecarbothioamide
CID 63164009
methyl 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoate
CID 82969270
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid
CID 167821181
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63608700
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate
CID 113224746
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
methyl 2-(2-aminoethoxy)benzoate
CID 14273287

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate?
The IUPAC name of methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate (CID 146418738) is methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate?
The canonical SMILES for methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate is COC(=O)c1ccccc1OCCN1CC[C@@H](N(C)C)C1.
What is the InChIKey of methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate?
The InChIKey is USOCVRMYAAMDOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(2)13-8-9-18(12-13)10-11-21-15-7-5-4-6-14(15)16(19)20-3/h4-7,13H,8-12H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate?
methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate has a molecular weight of 292.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate is sourced from PubChem (CID 146418738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).