3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C13H19NO6 — CID 104774518

IUPAC3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOC(=O)C1COCCN1C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C13H19NO6/c1-13(2)8(9(13)11(16)17)10(15)14-4-5-20-6-7(14)12(18)19-3/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeyZPHYWSGNZMZUPB-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.26
Rot. Bonds3

About 3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 104774518) has the molecular formula C13H19NO6 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID104774518
Molecular FormulaC13H19NO6
Molecular Weight285.30 g/mol
Exact Mass285.12
IUPAC Name3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOC(=O)C1COCCN1C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C13H19NO6/c1-13(2)8(9(13)11(16)17)10(15)14-4-5-20-6-7(14)12(18)19-3/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeyZPHYWSGNZMZUPB-UHFFFAOYSA-N
XLogP-0.26
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
CID 103837995
methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
CID 113247602
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-(1-cyanocyclobutanecarbonyl)morpholine-3-carboxylate
CID 104774578
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
CID 104774851
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate
CID 104774828
4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
CID 118540303
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 104774518) is 3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid is COC(=O)C1COCCN1C(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is ZPHYWSGNZMZUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6/c1-13(2)8(9(13)11(16)17)10(15)14-4-5-20-6-7(14)12(18)19-3/h7-9H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 104774518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).