methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate

C17H26N2O2 — CID 64567719

IUPACmethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCCC1CN(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-18(2)12-15-10-7-11-19(15)13-16(17(20)21-3)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3
InChIKeyFMGZJHLRXUNPRH-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.97
Rot. Bonds6

About methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate

methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate (PubChem CID 64567719) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
PubChem CID64567719
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namemethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCCC1CN(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-18(2)12-15-10-7-11-19(15)13-16(17(20)21-3)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3
InChIKeyFMGZJHLRXUNPRH-UHFFFAOYSA-N
XLogP1.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(hydroxymethyl)azepan-1-yl]-2-phenylpropanoate
CID 116635216
methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate
CID 64566277
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
CID 62889171
(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 62889117
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
CID 64566456
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropanoate
CID 62888613
methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64567065
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate?
The IUPAC name of methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate (CID 64567719) is methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate is COC(=O)C(CN1CCCC1CN(C)C)c1ccccc1.
What is the InChIKey of methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate?
The InChIKey is FMGZJHLRXUNPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18(2)12-15-10-7-11-19(15)13-16(17(20)21-3)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3.
What are the key properties of methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate?
methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate has a molecular weight of 290.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate is sourced from PubChem (CID 64567719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).