3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid

C11H17NO4 — CID 66032104

IUPAC3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CCCO2)C1
InChIInChI=1S/C11H17NO4/c13-10(9-2-1-5-16-9)12-8-4-3-7(6-8)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15)
InChIKeyVEOJLLDCGXJNCX-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.53
Rot. Bonds3

About 3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid

3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 66032104) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID66032104
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CCCO2)C1
InChIInChI=1S/C11H17NO4/c13-10(9-2-1-5-16-9)12-8-4-3-7(6-8)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15)
InChIKeyVEOJLLDCGXJNCX-UHFFFAOYSA-N
XLogP0.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530
N-(oxan-4-yl)oxolane-2-carboxamide
CID 110726803
3-(1,4-dioxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 63044373
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358
(2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide
CID 130652257
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
N-(5-methylpyrrolidin-3-yl)oxolane-2-carboxamide
CID 131057678
oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide
CID 67099288

Frequently Asked Questions

What is the IUPAC name of 3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid (CID 66032104) is 3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2CCCO2)C1.
What is the InChIKey of 3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is VEOJLLDCGXJNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10(9-2-1-5-16-9)12-8-4-3-7(6-8)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of 3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid?
3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).