[(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate

C19H22N2O2 — CID 121374936

IUPAC[(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
SMILESCN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-21-13-7-10-16(21)14-23-19(22)20-18-12-6-5-11-17(18)15-8-3-2-4-9-15/h2-6,8-9,11-12,16H,7,10,13-14H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyVLHRVXZEQXBQPD-INIZCTEOSA-N
MW310.40 g/mol
LogP4.00
Rot. Bonds4

About [(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate

[(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate (PubChem CID 121374936) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
PubChem CID121374936
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
SMILESCN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-21-13-7-10-16(21)14-23-19(22)20-18-12-6-5-11-17(18)15-8-3-2-4-9-15/h2-6,8-9,11-12,16H,7,10,13-14H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyVLHRVXZEQXBQPD-INIZCTEOSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate (CID 121374936) is [(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate is CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The InChIKey is VLHRVXZEQXBQPD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21-13-7-10-16(21)14-23-19(22)20-18-12-6-5-11-17(18)15-8-3-2-4-9-15/h2-6,8-9,11-12,16H,7,10,13-14H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
[(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate has a molecular weight of 310.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 121374936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).