(2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

C12H21NO5 — CID 71742810

IUPAC(2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](C(=O)O)OC(C)(C)C1
InChIInChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-8(9(14)15)17-12(4,5)7-13/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m1/s1
InChIKeyUVCRSTLUNAIJQQ-MRVPVSSYSA-N
MW259.30 g/mol
LogP1.49
Rot. Bonds1

About (2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

(2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (PubChem CID 71742810) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is (2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
PubChem CID71742810
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name(2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](C(=O)O)OC(C)(C)C1
InChIInChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-8(9(14)15)17-12(4,5)7-13/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m1/s1
InChIKeyUVCRSTLUNAIJQQ-MRVPVSSYSA-N
XLogP1.49
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.49
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
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
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

Frequently Asked Questions

What is the IUPAC name of (2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (CID 71742810) is (2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is CC(C)(C)OC(=O)N1C[C@H](C(=O)O)OC(C)(C)C1.
What is the InChIKey of (2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The InChIKey is UVCRSTLUNAIJQQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-8(9(14)15)17-12(4,5)7-13/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
(2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 71742810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).