3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid

C13H21NO4 — CID 64889178

IUPAC3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
SMILESO=C(CC1CCCCC1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H21NO4/c15-11(8-10-4-2-1-3-5-10)14-13(12(16)17)6-7-18-9-13/h10H,1-9H2,(H,14,15)(H,16,17)
InChIKeyKLRYSSUESKVOJT-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.32
Rot. Bonds4

About 3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid

3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid (PubChem CID 64889178) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
PubChem CID64889178
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
SMILESO=C(CC1CCCCC1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H21NO4/c15-11(8-10-4-2-1-3-5-10)14-13(12(16)17)6-7-18-9-13/h10H,1-9H2,(H,14,15)(H,16,17)
InChIKeyKLRYSSUESKVOJT-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid
CID 103161981
3-(cycloheptylamino)oxolane-3-carboxylic acid
CID 63333317
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 79328195
3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892875
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538570
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
CID 63333220

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid (CID 64889178) is 3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid is O=C(CC1CCCCC1)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid?
The InChIKey is KLRYSSUESKVOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-11(8-10-4-2-1-3-5-10)14-13(12(16)17)6-7-18-9-13/h10H,1-9H2,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid?
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).