(2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid

C16H23NO4 — CID 68600600

IUPAC(2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid
SMILESCC(C)(C)[C@]1([C@H](O)c2ccccc2)CN(C(=O)O)CCO1
InChIInChI=1S/C16H23NO4/c1-15(2,3)16(11-17(14(19)20)9-10-21-16)13(18)12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H,19,20)/t13-,16-/m1/s1
InChIKeyNYHPAHOTPCKBBR-CZUORRHYSA-N
MW293.36 g/mol
LogP2.52
Rot. Bonds2

About (2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid

(2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid (PubChem CID 68600600) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid
PubChem CID68600600
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid
SMILESCC(C)(C)[C@]1([C@H](O)c2ccccc2)CN(C(=O)O)CCO1
InChIInChI=1S/C16H23NO4/c1-15(2,3)16(11-17(14(19)20)9-10-21-16)13(18)12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H,19,20)/t13-,16-/m1/s1
InChIKeyNYHPAHOTPCKBBR-CZUORRHYSA-N
XLogP2.52
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid 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

2,2-diphenylmorpholine-4-carboxylic acid
CID 57298825
2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one
CID 56691290
(2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid
CID 118141554
(2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid
CID 130362180
(2S)-2-tert-butyl-2-(4-cyanophenyl)morpholine-4-carboxylic acid
CID 66861410
2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid
CID 154963271
3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 76975476
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone
CID 55763984
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714
2-tert-butyl-2-(3H-inden-4-yloxymethyl)morpholine-4-carboxylic acid
CID 67212944
1-tert-butylspiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxylic acid
CID 90970065

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid?
The IUPAC name of (2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid (CID 68600600) is (2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid?
The canonical SMILES for (2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid is CC(C)(C)[C@]1([C@H](O)c2ccccc2)CN(C(=O)O)CCO1.
What is the InChIKey of (2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid?
The InChIKey is NYHPAHOTPCKBBR-CZUORRHYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-15(2,3)16(11-17(14(19)20)9-10-21-16)13(18)12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H,19,20)/t13-,16-/m1/s1.
What are the key properties of (2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid?
(2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 68600600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).