(3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid

C9H17NO3 — CID 118118202

IUPAC(3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid
SMILESCC(C)N1CCOC[C@@]1(C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-7(2)10-4-5-13-6-9(10,3)8(11)12/h7H,4-6H2,1-3H3,(H,11,12)/t9-/m0/s1
InChIKeyXEGZYTOSZGJDSE-VIFPVBQESA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds2

About (3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid

(3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid (PubChem CID 118118202) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid
PubChem CID118118202
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid
SMILESCC(C)N1CCOC[C@@]1(C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-7(2)10-4-5-13-6-9(10,3)8(11)12/h7H,4-6H2,1-3H3,(H,11,12)/t9-/m0/s1
InChIKeyXEGZYTOSZGJDSE-VIFPVBQESA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 22309142
1-(3,3-dimethylmorpholin-4-yl)ethanol
CID 141129564
(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422
2-methyl-1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 104598665
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 78973108
1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid
CID 166279333
1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 48521768
1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366316
3-(1-hydroxypropan-2-yl)oxane-3-carboxylic acid
CID 130502968
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124235
1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 62271993
1-(3,3-dimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 82235402

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid?
The IUPAC name of (3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid (CID 118118202) is (3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid?
The canonical SMILES for (3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid is CC(C)N1CCOC[C@@]1(C)C(=O)O.
What is the InChIKey of (3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid?
The InChIKey is XEGZYTOSZGJDSE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)10-4-5-13-6-9(10,3)8(11)12/h7H,4-6H2,1-3H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid?
(3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid is sourced from PubChem (CID 118118202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).