benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate

C14H21N3O2 — CID 66566535

IUPACbenzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate
SMILESNCCN1CCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H21N3O2/c15-7-9-17-8-6-13(10-17)16-14(18)19-11-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2,(H,16,18)
InChIKeyWXNNDFRISMAHKB-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.95
Rot. Bonds5

About benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate

benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate (PubChem CID 66566535) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate
PubChem CID66566535
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namebenzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate
SMILESNCCN1CCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H21N3O2/c15-7-9-17-8-6-13(10-17)16-14(18)19-11-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2,(H,16,18)
InChIKeyWXNNDFRISMAHKB-UHFFFAOYSA-N
XLogP0.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566464
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56965558
benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate
CID 96553888
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
[(3R)-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174824904
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
(3S,4R)-1-(2-hydroxyethyl)-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 67503446
tert-butyl 4-[2-[3-(phenylmethoxycarbonylamino)piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 177098320
benzyl (6S)-3-fluoro-6-(phenylmethoxycarbonylamino)azepane-1-carboxylate
CID 155622687

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate (CID 66566535) is benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate is NCCN1CCC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate?
The InChIKey is WXNNDFRISMAHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-7-9-17-8-6-13(10-17)16-14(18)19-11-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2,(H,16,18).
What are the key properties of benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate?
benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 66566535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).