[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate

C20H23FN2O3 — CID 121425540

IUPAC[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate
SMILESCN1CCC[C@H]1COC(=O)Nc1ccc(CO)cc1-c1cccc(F)c1
InChIInChI=1S/C20H23FN2O3/c1-23-9-3-6-17(23)13-26-20(25)22-19-8-7-14(12-24)10-18(19)15-4-2-5-16(21)11-15/h2,4-5,7-8,10-11,17,24H,3,6,9,12-13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyOYDHIFCTQSCYMQ-KRWDZBQOSA-N
MW358.41 g/mol
LogP3.63
Rot. Bonds5

About [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate

[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate (PubChem CID 121425540) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate
PubChem CID121425540
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate
SMILESCN1CCC[C@H]1COC(=O)Nc1ccc(CO)cc1-c1cccc(F)c1
InChIInChI=1S/C20H23FN2O3/c1-23-9-3-6-17(23)13-26-20(25)22-19-8-7-14(12-24)10-18(19)15-4-2-5-16(21)11-15/h2,4-5,7-8,10-11,17,24H,3,6,9,12-13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyOYDHIFCTQSCYMQ-KRWDZBQOSA-N
XLogP3.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate (CID 121425540) is [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate is CN1CCC[C@H]1COC(=O)Nc1ccc(CO)cc1-c1cccc(F)c1.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate?
The InChIKey is OYDHIFCTQSCYMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-23-9-3-6-17(23)13-26-20(25)22-19-8-7-14(12-24)10-18(19)15-4-2-5-16(21)11-15/h2,4-5,7-8,10-11,17,24H,3,6,9,12-13H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate?
[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate has a molecular weight of 358.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate is sourced from PubChem (CID 121425540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).