methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate

C17H24Cl2N2O2 — CID 120903346

IUPACmethyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate
SMILESCOC(=O)CN(CCc1ccc(Cl)cc1Cl)CC1(C)CCNC1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(6-7-20-11-17)12-21(10-16(22)23-2)8-5-13-3-4-14(18)9-15(13)19/h3-4,9,20H,5-8,10-12H2,1-2H3
InChIKeyKNSHZXYRIQVLIZ-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.01
Rot. Bonds7

About methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate

methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate (PubChem CID 120903346) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate
PubChem CID120903346
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Namemethyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate
SMILESCOC(=O)CN(CCc1ccc(Cl)cc1Cl)CC1(C)CCNC1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(6-7-20-11-17)12-21(10-16(22)23-2)8-5-13-3-4-14(18)9-15(13)19/h3-4,9,20H,5-8,10-12H2,1-2H3
InChIKeyKNSHZXYRIQVLIZ-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate with MolForge

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Related Compounds

2-[2-(2,4-Dichlorophenyl)ethylamino]acetic acid
CID 23069632
Methyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 28431582
2-[2-(2,4-Dichlorophenyl)ethylazaniumyl]acetate
CID 28897469
Methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204
Methyl 2-[2-(2-chlorophenyl)ethylamino]acetate
CID 54333899
[(4-Chloro-benzyl)-pyrrolidin-3-yl-amino]-acetic acid methyl ester
CID 66758681
tert-butyl 2-[(2,4-dichlorophenyl)methyl-[(3R)-pyrrolidin-3-yl]amino]acetate
CID 69005149
Methyl 2-[[1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methylamino]acetate
CID 134375366
2,4-Dichloro-1-methylbenzene;methyl 2-(pyrrolidine-1-carbonylamino)acetate
CID 143553484
2,4-dichloro-1-methylbenzene;2-pyrrolidin-1-ylethyl N-methylcarbamate
CID 144027835
Methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate
CID 145147930
Ethyl 2-[2-(2-chlorophenyl)ethylamino]acetate;hydrochloride
CID 173490931

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate (CID 120903346) is methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate is COC(=O)CN(CCc1ccc(Cl)cc1Cl)CC1(C)CCNC1.
What is the InChIKey of methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate?
The InChIKey is KNSHZXYRIQVLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-17(6-7-20-11-17)12-21(10-16(22)23-2)8-5-13-3-4-14(18)9-15(13)19/h3-4,9,20H,5-8,10-12H2,1-2H3.
What are the key properties of methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate?
methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate has a molecular weight of 359.30 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate is sourced from PubChem (CID 120903346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).