benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate

C15H23N3O2 — CID 66563965

IUPACbenzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate
SMILESCN(CCN)C1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H23N3O2/c1-17(10-8-16)14-7-9-18(11-14)15(19)20-12-13-5-3-2-4-6-13/h2-6,14H,7-12,16H2,1H3
InChIKeyLUVNRPXKJPTWHS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.29
Rot. Bonds5

About benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate

benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate (PubChem CID 66563965) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate
PubChem CID66563965
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namebenzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate
SMILESCN(CCN)C1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H23N3O2/c1-17(10-8-16)14-7-9-18(11-14)15(19)20-12-13-5-3-2-4-6-13/h2-6,14H,7-12,16H2,1H3
InChIKeyLUVNRPXKJPTWHS-UHFFFAOYSA-N
XLogP1.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate 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

2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
CID 66563946
benzyl 3-[[2-aminoethyl(cyclopropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564376
benzyl 3-[2-aminoethyl(propan-2-yl)amino]piperidine-1-carboxylate
CID 66564362
2-[methyl-[(3S)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]acetic acid
CID 66563953
benzyl 3-[[2-aminoethyl(methyl)amino]methyl]piperidine-1-carboxylate
CID 66564337
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 46835598
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619
benzyl (3S)-3-[2-hydroxyethyl(propan-2-yl)amino]pyrrolidine-1-carboxylate
CID 66564312
benzyl (3R)-3-[aminocarbamothioyl(methyl)amino]pyrrolidine-1-carboxylate
CID 58202128
benzyl (3S)-3-[[2-aminoethyl(cyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 96552357
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate (CID 66563965) is benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate is CN(CCN)C1CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is LUVNRPXKJPTWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(10-8-16)14-7-9-18(11-14)15(19)20-12-13-5-3-2-4-6-13/h2-6,14H,7-12,16H2,1H3.
What are the key properties of benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate?
benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 66563965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).