2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid

C13H23NO5 — CID 53406550

IUPAC2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)OCC1(C)C
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-9(6-10(15)16)18-8-13(14,4)5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyPJFDZRPZIHFHQV-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.88
Rot. Bonds2

About 2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid

2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid (PubChem CID 53406550) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid
PubChem CID53406550
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)OCC1(C)C
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-9(6-10(15)16)18-8-13(14,4)5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyPJFDZRPZIHFHQV-UHFFFAOYSA-N
XLogP1.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((Tert-butoxy)carbonyl)-3-methylmorpholine-3-carboxylic acid
CID 22309142
2-(4-(Tert-butoxycarbonyl)morpholin-2-yl)acetic acid
CID 42614769
1-[(Tert-butoxy)carbonyl]-3-methoxypiperidine-4-carboxylic acid
CID 71112753
(2R,3S)-4-[(tert-butoxy)carbonyl]-2-methylmorpholine-3-carboxylic acid
CID 86306040
rac-(3R,4R)-1-((tert-butoxy)carbonyl)-3-methoxypiperidine-4-carboxylic acid
CID 86711241
(3S,6S)-4-((tert-butoxy)carbonyl)-6-methylmorpholine-3-carboxylic acid
CID 139022429
(3R,6R)-4-((tert-butoxy)carbonyl)-6-methylmorpholine-3-carboxylic acid
CID 146610224
(3R,6S)-4-((tert-butoxy)carbonyl)-6-methylmorpholine-3-carboxylic acid
CID 165573081
2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium
CID 3081011
rac-2-((2R,6S)-4-((tert-butoxy)carbonyl)-6-(hydroxymethyl)morpholin-2-yl)acetic acid
CID 125511839
rac-2-[(2R,6R)-4-[(tert-butoxy)carbonyl]-6-(hydroxymethyl)morpholin-2-yl]acetic acid
CID 125511842
2-{5-[(Tert-butoxy)carbonyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl}acetic acid
CID 137935277

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid (CID 53406550) is 2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid is CC(C)(C)OC(=O)N1CC(CC(=O)O)OCC1(C)C.
What is the InChIKey of 2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid?
The InChIKey is PJFDZRPZIHFHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-9(6-10(15)16)18-8-13(14,4)5/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid?
2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 53406550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).