(2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide

C11H22N2O3 — CID 128986958

IUPAC(2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(CCC(C)(C)O)[C@@H]1C(N)=O
InChIInChI=1S/C11H22N2O3/c1-8-9(10(12)14)13(6-7-16-8)5-4-11(2,3)15/h8-9,15H,4-7H2,1-3H3,(H2,12,14)/t8-,9+/m1/s1
InChIKeySFIHKWPEUYZTQG-BDAKNGLRSA-N
MW230.31 g/mol
LogP-0.28
Rot. Bonds4

About (2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide (PubChem CID 128986958) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide
PubChem CID128986958
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(CCC(C)(C)O)[C@@H]1C(N)=O
InChIInChI=1S/C11H22N2O3/c1-8-9(10(12)14)13(6-7-16-8)5-4-11(2,3)15/h8-9,15H,4-7H2,1-3H3,(H2,12,14)/t8-,9+/m1/s1
InChIKeySFIHKWPEUYZTQG-BDAKNGLRSA-N
XLogP-0.28
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide 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

(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide
CID 126987751
(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide
CID 128986897
(2R,3S)-2-methyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholine-3-carboxamide
CID 128987044
(2R,3S)-4-[2-(3-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 128987031
(2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
CID 128986916
(2R,3S)-2-methyl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
CID 128986971
(2R,3S)-4-[(4-bromo-2-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983411
(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983412
(2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 128987041
(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983261
2-(2,3-dimethylmorpholin-4-yl)ethanethioamide
CID 130816236
(2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128987013

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide (CID 128986958) is (2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN(CCC(C)(C)O)[C@@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is SFIHKWPEUYZTQG-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8-9(10(12)14)13(6-7-16-8)5-4-11(2,3)15/h8-9,15H,4-7H2,1-3H3,(H2,12,14)/t8-,9+/m1/s1.
What are the key properties of (2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 128986958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).