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

C10H17NO5 — CID 2755965

IUPAC4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyLGWMTRPJZFEWCX-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.71
Rot. Bonds1

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

4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (PubChem CID 2755965) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
PubChem CID2755965
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyLGWMTRPJZFEWCX-UHFFFAOYSA-N
XLogP0.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)oxy)acetic acid
CID 1502082
tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 5201202
(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid
CID 1519383
(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
4-Acetylmorpholine-2-carboxylic acid
CID 20598078
(R)-3-Carboxymethoxy-piperidine-1-carboxylic acid tert-butyl ester
CID 31164575
(S)-3-Carboxymethoxy-piperidine-1-carboxylic acid tert-butyl ester
CID 40429387
2-({1-[(Tert-butoxy)carbonyl]piperidin-3-yl}oxy)acetic acid
CID 42614544
2-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}oxy)propanoic acid
CID 50853305

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (CID 2755965) is 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The InChIKey is LGWMTRPJZFEWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 2755965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).