(2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol

C23H40N2O4 — CID 160510762

IUPAC(2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol
SMILESCOCCN1CCC[C@H]1CO.COCCN1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C15H23NO2.C8H17NO2/c1-17-11-10-16-9-5-8-15(16)13-18-12-14-6-3-2-4-7-14;1-11-6-5-9-4-2-3-8(9)7-10/h2-4,6-7,15H,5,8-13H2,1H3;8,10H,2-7H2,1H3/t15-;8-/m00/s1
InChIKeyQTAAAJDWMQHAML-TZTJCCGVSA-N
MW408.58 g/mol
LogP2.40
Rot. Bonds11

About (2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol

(2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol (PubChem CID 160510762) has the molecular formula C23H40N2O4 and a molecular weight of 408.58 g/mol. Its IUPAC name is (2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol
PubChem CID160510762
Molecular FormulaC23H40N2O4
Molecular Weight408.58 g/mol
Exact Mass408.30
IUPAC Name(2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol
SMILESCOCCN1CCC[C@H]1CO.COCCN1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C15H23NO2.C8H17NO2/c1-17-11-10-16-9-5-8-15(16)13-18-12-14-6-3-2-4-7-14;1-11-6-5-9-4-2-3-8(9)7-10/h2-4,6-7,15H,5,8-13H2,1H3;8,10H,2-7H2,1H3/t15-;8-/m00/s1
InChIKeyQTAAAJDWMQHAML-TZTJCCGVSA-N
XLogP2.40
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Z-D-Prolinol
CID 5314177
1-benzyloxy-N,N-diethyl-hexadecan-2-amine
CID 24936445
[(2R,4S)-1-methyl-4-[[4-[(E)-oct-1-enyl]phenyl]methoxy]pyrrolidin-2-yl]methanol;hydrochloride
CID 155556275
Benzyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 4576020
Cbz-L-Prolinol
CID 11096562
[1-(2-Phenylmethoxyethyl)pyrrolidin-3-yl]methanol
CID 339975
1-(Phenylmethoxy)-2-pyrrolidinyl-1-(pyrrolidinylmethyl)ethane
CID 757920
(1R,2R)-2-[(3R)-3-benzyloxy-1-pyrrolidinyl]cyclohexanol
CID 11585540
benzyl (2S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-1-carboxylate
CID 11747025
benzyl (2R,5S)-2,5-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 15382873
(2S,4S)-4-fluoro-1-methyl-2-[[(Z)-4-phenylmethoxybut-2-enoxy]methyl]pyrrolidine
CID 58778459
[(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol
CID 166137267

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of (2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol (CID 160510762) is (2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for (2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for (2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol is COCCN1CCC[C@H]1CO.COCCN1CCC[C@H]1COCc1ccccc1.
What is the InChIKey of (2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol?
The InChIKey is QTAAAJDWMQHAML-TZTJCCGVSA-N. The full InChI is InChI=1S/C15H23NO2.C8H17NO2/c1-17-11-10-16-9-5-8-15(16)13-18-12-14-6-3-2-4-7-14;1-11-6-5-9-4-2-3-8(9)7-10/h2-4,6-7,15H,5,8-13H2,1H3;8,10H,2-7H2,1H3/t15-;8-/m00/s1.
What are the key properties of (2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol?
(2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol has a molecular weight of 408.58 g/mol, XLogP of 2.40, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxyethyl)-2-(phenylmethoxymethyl)pyrrolidine;[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 160510762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).