benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate

C16H24N2O2 — CID 96555674

IUPACbenzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)N(C[C@@H]1CCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(2)18(11-15-8-9-17-10-15)16(19)20-12-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyRLXUDAWFGAJFDX-OAHLLOKOSA-N
MW276.38 g/mol
LogP2.64
Rot. Bonds5

About benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate

benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate (PubChem CID 96555674) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
PubChem CID96555674
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namebenzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)N(C[C@@H]1CCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(2)18(11-15-8-9-17-10-15)16(19)20-12-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyRLXUDAWFGAJFDX-OAHLLOKOSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]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-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
4-[[phenylmethoxycarbonyl(propan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 139267795
benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
CID 96555658
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96554022
benzyl N-[[1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566579
benzyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553911
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553985
3-benzyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 107654227
benzyl N-[[1-(2-aminooxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 71301854

Frequently Asked Questions

What is the IUPAC name of benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate (CID 96555674) is benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate is CC(C)N(C[C@@H]1CCNC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is RLXUDAWFGAJFDX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)18(11-15-8-9-17-10-15)16(19)20-12-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate?
benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 96555674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).