ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate

C17H26N2O2 — CID 58861501

IUPACethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCCC1CNCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-21-17(20)10-12-19-11-6-9-16(19)14-18-13-15-7-4-3-5-8-15/h3-5,7-8,16,18H,2,6,9-14H2,1H3
InChIKeyXIXCWARQEQLTJZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds8

About ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate

ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate (PubChem CID 58861501) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate
PubChem CID58861501
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCCC1CNCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-21-17(20)10-12-19-11-6-9-16(19)14-18-13-15-7-4-3-5-8-15/h3-5,7-8,16,18H,2,6,9-14H2,1H3
InChIKeyXIXCWARQEQLTJZ-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
4-[[(1-butylpiperidin-2-yl)methylamino]methyl]benzoic acid
CID 122031194
ethyl 3-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]propanoate
CID 111858454
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenyl]acetamide
CID 51637876
2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride
CID 17215973
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-methylpropanamide
CID 109020436
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate (CID 58861501) is ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate is CCOC(=O)CCN1CCCC1CNCc1ccccc1.
What is the InChIKey of ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate?
The InChIKey is XIXCWARQEQLTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-21-17(20)10-12-19-11-6-9-16(19)14-18-13-15-7-4-3-5-8-15/h3-5,7-8,16,18H,2,6,9-14H2,1H3.
What are the key properties of ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate?
ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate has a molecular weight of 290.41 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 58861501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).