benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate

C16H24N2O3 — CID 66564283

IUPACbenzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCN(CCO)CC1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-17(10-11-19)12-15-8-5-9-18(15)16(20)21-13-14-6-3-2-4-7-14/h2-4,6-7,15,19H,5,8-13H2,1H3
InChIKeyLIJSBXINQWNNDR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.71
Rot. Bonds6

About benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate

benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 66564283) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate
PubChem CID66564283
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namebenzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCN(CCO)CC1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-17(10-11-19)12-15-8-5-9-18(15)16(20)21-13-14-6-3-2-4-7-14/h2-4,6-7,15,19H,5,8-13H2,1H3
InChIKeyLIJSBXINQWNNDR-UHFFFAOYSA-N
XLogP1.71
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564329
benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 96552293
benzyl (2S)-2-[[[(2S)-2-aminopropanoyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564868
benzyl (2S)-2-[[(2-aminoacetyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564793
benzyl (2S)-2-[[(2-chloroacetyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564718
benzyl (2S)-2-[[2-aminoethyl(ethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564345
benzyl 2-[[(2-aminoacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564799
benzyl (2R)-2-[[2-aminoethyl(cyclopropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 96552351
benzyl 2-[[(2-chloroacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564724
benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate
CID 66564351
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate (CID 66564283) is benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate is CN(CCO)CC1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is LIJSBXINQWNNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(10-11-19)12-15-8-5-9-18(15)16(20)21-13-14-6-3-2-4-7-14/h2-4,6-7,15,19H,5,8-13H2,1H3.
What are the key properties of benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate?
benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 66564283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).