2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

C11H19NO5 — CID 51358232

IUPAC2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCOC(C)(C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-6-16-11(4,7-12)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeySQAMEQQMXRHVTC-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (PubChem CID 51358232) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
PubChem CID51358232
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCOC(C)(C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-6-16-11(4,7-12)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeySQAMEQQMXRHVTC-UHFFFAOYSA-N
XLogP1.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 5201202
(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid
CID 1519383
4-((Tert-butoxy)carbonyl)morpholine-2-carboxylic acid
CID 2755965
(2R)-4-((tert-butoxy)carbonyl)morpholine-2-carboxylic acid
CID 6559076
(S)-4-(tert-Butoxycarbonyl)-1,4-oxazepane-2-carboxylic acid
CID 71305948
(R)-N-Boc-2-hydroxymethylmorpholine
CID 1512576
tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 1512577
[2-(N-Boc-N-methyl-amino)-ethoxy]-acetic acid
CID 18442965
4-Acetylmorpholine-2-carboxylic acid
CID 20598078
2-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}oxy)propanoic acid
CID 50853305
4-((Tert-butoxy)carbonyl)-1,4-oxazepane-2-carboxylic acid
CID 56972835
tert-butyl (6S)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 68310116

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (CID 51358232) is 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCOC(C)(C(=O)O)C1.
What is the InChIKey of 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The InChIKey is SQAMEQQMXRHVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-6-16-11(4,7-12)8(13)14/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 51358232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).