4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C14H23NO5 — CID 106099745

IUPAC4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCC2(O)CCOC2)C1
InChIInChI=1S/C14H23NO5/c1-2-9-5-10(11(6-9)13(17)18)12(16)15-7-14(19)3-4-20-8-14/h9-11,19H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyCTOPUHJNHDVAJR-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.39
Rot. Bonds5

About 4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106099745) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106099745
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCC2(O)CCOC2)C1
InChIInChI=1S/C14H23NO5/c1-2-9-5-10(11(6-9)13(17)18)12(16)15-7-14(19)3-4-20-8-14/h9-11,19H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyCTOPUHJNHDVAJR-UHFFFAOYSA-N
XLogP0.39
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide
CID 114143542
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511623
N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide
CID 103849502
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 106101296
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391339
4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 107416699
2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101531
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114615292
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 106099745) is 4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NCC2(O)CCOC2)C1.
What is the InChIKey of 4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is CTOPUHJNHDVAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-2-9-5-10(11(6-9)13(17)18)12(16)15-7-14(19)3-4-20-8-14/h9-11,19H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106099745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).