benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate

C15H22N2O2 — CID 96555664

IUPACbenzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
SMILESCCN(C[C@H]1CCCN1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-17(11-14-9-6-10-16-14)15(18)19-12-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3/t14-/m1/s1
InChIKeyRNIXVZPLHGJCSB-CQSZACIVSA-N
MW262.35 g/mol
LogP2.40
Rot. Bonds5

About benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate

benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate (PubChem CID 96555664) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
PubChem CID96555664
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
SMILESCCN(C[C@H]1CCCN1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-17(11-14-9-6-10-16-14)15(18)19-12-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3/t14-/m1/s1
InChIKeyRNIXVZPLHGJCSB-CQSZACIVSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
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benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
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benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
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benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate
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(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
benzyl N-[butanoyl(pyrrolidin-2-ylmethyl)amino]carbamate
CID 67665184
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl 4-methyl-2-[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]pentanoate;hydrochloride
CID 158388388
4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
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N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106609453

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate (CID 96555664) is benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate is CCN(C[C@H]1CCCN1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate?
The InChIKey is RNIXVZPLHGJCSB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-17(11-14-9-6-10-16-14)15(18)19-12-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3/t14-/m1/s1.
What are the key properties of benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate?
benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 96555664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).