5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid

C13H21NO4 — CID 102688687

IUPAC5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC1(C)C(NC(=O)C2CCC(C(=O)O)O2)C1(C)C
InChIInChI=1S/C13H21NO4/c1-12(2)11(13(12,3)4)14-9(15)7-5-6-8(18-7)10(16)17/h7-8,11H,5-6H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyRTRXISKINWKEOS-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.17
Rot. Bonds3

About 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid

5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688687) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688687
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC1(C)C(NC(=O)C2CCC(C(=O)O)O2)C1(C)C
InChIInChI=1S/C13H21NO4/c1-12(2)11(13(12,3)4)14-9(15)7-5-6-8(18-7)10(16)17/h7-8,11H,5-6H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyRTRXISKINWKEOS-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-(4,4,4-trifluorobutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 105928607
5-(4,4,4-Trifluorobutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 113729864
(2R,5S)-5-[1-(2,2,2-trifluoroethoxy)propan-2-ylcarbamoyl]oxolane-2-carboxylic acid
CID 121776518
(2R,5S)-5-[(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 121920313
5-[[[2-(Cyclopropylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid
CID 62299427
5,5-Dimethyl-4-[2-(oxolane-2-carbonylamino)ethyl]hexanoic acid
CID 64357968
4,4-Dimethyl-6-(oxolane-2-carbonylamino)hexanoic acid
CID 65284349
(2R)-3-cyclopropyl-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 73900493
(2R)-3-cyclopropyl-2-[[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 73900594
(2S)-3-cyclopropyl-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 73911316
(2S)-3-cyclopropyl-2-[[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 73911417
5-[[[Cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]oxolane-2-carboxylic acid
CID 80002660

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid (CID 102688687) is 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid is CC1(C)C(NC(=O)C2CCC(C(=O)O)O2)C1(C)C.
What is the InChIKey of 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is RTRXISKINWKEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-12(2)11(13(12,3)4)14-9(15)7-5-6-8(18-7)10(16)17/h7-8,11H,5-6H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).