(2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid

C16H23NO5 — CID 118306605

IUPAC(2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid
SMILESCC(C)(O)[C@@H]1CN(C(=O)O)C[C@H](COCc2ccccc2)O1
InChIInChI=1S/C16H23NO5/c1-16(2,20)14-9-17(15(18)19)8-13(22-14)11-21-10-12-6-4-3-5-7-12/h3-7,13-14,20H,8-11H2,1-2H3,(H,18,19)/t13-,14+/m1/s1
InChIKeySVEFDUCBAGWCTB-KGLIPLIRSA-N
MW309.36 g/mol
LogP1.72
Rot. Bonds5

About (2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid

(2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid (PubChem CID 118306605) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid
PubChem CID118306605
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid
SMILESCC(C)(O)[C@@H]1CN(C(=O)O)C[C@H](COCc2ccccc2)O1
InChIInChI=1S/C16H23NO5/c1-16(2,20)14-9-17(15(18)19)8-13(22-14)11-21-10-12-6-4-3-5-7-12/h3-7,13-14,20H,8-11H2,1-2H3,(H,18,19)/t13-,14+/m1/s1
InChIKeySVEFDUCBAGWCTB-KGLIPLIRSA-N
XLogP1.72
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 124656833
butyl 2-methyl-6-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 118024658
tert-butyl (2S)-2-(phenylmethoxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 172861521
3,5-dimethyl-4-(2-phenylmethoxyethyl)piperazine-1-carboxylic acid
CID 90345091
(2S,3R,4R,5R,6R)-2-(2-hydroxypropan-2-yl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101203720
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate
CID 93493280
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide
CID 91431609
(6R)-2-methyl-6-(phenylmethoxymethyl)morpholine
CID 68662666
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl (2R,6R)-2,6-bis(iodomethyl)morpholine-4-carboxylate
CID 99564646

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid?
The IUPAC name of (2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid (CID 118306605) is (2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid.
What is the SMILES notation for (2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid?
The canonical SMILES for (2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid is CC(C)(O)[C@@H]1CN(C(=O)O)C[C@H](COCc2ccccc2)O1.
What is the InChIKey of (2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid?
The InChIKey is SVEFDUCBAGWCTB-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23NO5/c1-16(2,20)14-9-17(15(18)19)8-13(22-14)11-21-10-12-6-4-3-5-7-12/h3-7,13-14,20H,8-11H2,1-2H3,(H,18,19)/t13-,14+/m1/s1.
What are the key properties of (2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid?
(2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid has a molecular weight of 309.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 118306605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).