benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate

C17H26N2O3 — CID 66566494

IUPACbenzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
SMILESCCN(C[C@@H]1CCCN1CCO)C(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-2-18(13-16-9-6-10-19(16)11-12-20)17(21)22-14-15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-14H2,1H3/t16-/m0/s1
InChIKeyNPLCFBXMNVQOGA-INIZCTEOSA-N
MW306.41 g/mol
LogP2.10
Rot. Bonds7

About benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate

benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate (PubChem CID 66566494) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
PubChem CID66566494
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namebenzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
SMILESCCN(C[C@@H]1CCCN1CCO)C(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-2-18(13-16-9-6-10-19(16)11-12-20)17(21)22-14-15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-14H2,1H3/t16-/m0/s1
InChIKeyNPLCFBXMNVQOGA-INIZCTEOSA-N
XLogP2.10
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 66566751
benzyl N-[[1-(2-aminopropanoyl)pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 77144060
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 131108775
2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554121
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
CID 96554125
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-2-yl]methyl]-N-ethylcarbamate
CID 66566828
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide
CID 96553026
benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate
CID 66566689
(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
CID 66565271
(2S)-2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethyl-3-methylbutanamide
CID 96553087
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate (CID 66566494) is benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate is CCN(C[C@@H]1CCCN1CCO)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate?
The InChIKey is NPLCFBXMNVQOGA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-18(13-16-9-6-10-19(16)11-12-20)17(21)22-14-15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-14H2,1H3/t16-/m0/s1.
What are the key properties of benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate?
benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 66566494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).