2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid

C8H13NO5 — CID 59983974

IUPAC2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid
SMILESCNC(=O)C1OC(C)(C)OC1C(=O)O
InChIInChI=1S/C8H13NO5/c1-8(2)13-4(6(10)9-3)5(14-8)7(11)12/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyMUMYXWMCWYWCPC-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.66
Rot. Bonds2

About 2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid

2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid (PubChem CID 59983974) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid
PubChem CID59983974
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid
SMILESCNC(=O)C1OC(C)(C)OC1C(=O)O
InChIInChI=1S/C8H13NO5/c1-8(2)13-4(6(10)9-3)5(14-8)7(11)12/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyMUMYXWMCWYWCPC-UHFFFAOYSA-N
XLogP-0.66
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,5-N,2,2-tetramethyl-1,3-dioxolane-4,5-dicarboxamide
CID 3809731
(4R,5R)-5-(benzoylcarbamoyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 25018901
(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10583365
(4S,5S)-5-(iodomethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 11601660
(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxolane-4-carboxylic acid
CID 122670301
(3aR,5S,6S,6aR)-2,2-dimethyl-6-(methylamino)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid
CID 157277902
(1S,2S,6S,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid
CID 140579372
(4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
CID 981369
2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835556
2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 170549993
(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
CID 131040038
(5S,6S,6aR)-6-azido-N,2,2-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
CID 91121771

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid (CID 59983974) is 2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid is CNC(=O)C1OC(C)(C)OC1C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid?
The InChIKey is MUMYXWMCWYWCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-8(2)13-4(6(10)9-3)5(14-8)7(11)12/h4-5H,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid?
2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid has a molecular weight of 203.19 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 59983974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).