2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

C14H23NO5 — CID 114390721

IUPAC2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCOC(=O)C(C)CN(C)C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H23NO5/c1-8-5-10(11(6-8)13(17)18)12(16)15(3)7-9(2)14(19)20-4/h8-11H,5-7H2,1-4H3,(H,17,18)
InChIKeyXRNBANAAINGNLY-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.00
Rot. Bonds5

About 2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114390721) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114390721
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCOC(=O)C(C)CN(C)C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H23NO5/c1-8-5-10(11(6-8)13(17)18)12(16)15(3)7-9(2)14(19)20-4/h8-11H,5-7H2,1-4H3,(H,17,18)
InChIKeyXRNBANAAINGNLY-UHFFFAOYSA-N
XLogP1.00
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cis-2-(Carboxymethyl-ethyl-carbamoyl)-cyclopentanecarboxylic acid
CID 44375345
2-[Butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978375
2-[Propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978376
2-[2-Methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978384
2-[Methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978888
cis-(1R,2S)-4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105633787
cis-(1S,2R)-2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105635722
cis-(1R,2S)-2-[butyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 105635723
cis-(1R,2S)-4-methyl-2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105635727
cis-(1R,2S)-4-ethyl-2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105635731
cis-(1S,2R)-2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105635790
cis-(1R,2S)-4-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105635791

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114390721) is 2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is COC(=O)C(C)CN(C)C(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is XRNBANAAINGNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-8-5-10(11(6-8)13(17)18)12(16)15(3)7-9(2)14(19)20-4/h8-11H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).