2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

C14H23NO5 — CID 114391339

IUPAC2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCOC1(CNC(=O)C2CC(C)CC2C(=O)O)CCOC1
InChIInChI=1S/C14H23NO5/c1-9-5-10(11(6-9)13(17)18)12(16)15-7-14(19-2)3-4-20-8-14/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXYQCRYMAHTWVFR-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.65
Rot. Bonds5

About 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391339) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391339
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCOC1(CNC(=O)C2CC(C)CC2C(=O)O)CCOC1
InChIInChI=1S/C14H23NO5/c1-9-5-10(11(6-9)13(17)18)12(16)15-7-14(19-2)3-4-20-8-14/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXYQCRYMAHTWVFR-UHFFFAOYSA-N
XLogP0.65
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 104761454
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpiperidine-3-carboxamide
CID 104762009
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
CID 113450295
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 104706035
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
N-[(3-methoxyoxolan-3-yl)methyl]morpholine-3-carboxamide
CID 113450266
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102783026
2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104708935

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114391339) is 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is COC1(CNC(=O)C2CC(C)CC2C(=O)O)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is XYQCRYMAHTWVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-9-5-10(11(6-9)13(17)18)12(16)15-7-14(19-2)3-4-20-8-14/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).