2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C14H22N2O5 — CID 64815143

IUPAC2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCCN1CC(C(=O)NC2CCCC2C(=O)O)CC1=O
InChIInChI=1S/C14H22N2O5/c1-21-6-5-16-8-9(7-12(16)17)13(18)15-11-4-2-3-10(11)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyOCBUNEYZWLXHFY-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.15
Rot. Bonds6

About 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64815143) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64815143
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCCN1CC(C(=O)NC2CCCC2C(=O)O)CC1=O
InChIInChI=1S/C14H22N2O5/c1-21-6-5-16-8-9(7-12(16)17)13(18)15-11-4-2-3-10(11)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyOCBUNEYZWLXHFY-UHFFFAOYSA-N
XLogP-0.15
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119609306
4-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125149285
1-(2-methoxyethyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120602134
(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 92919690
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 61153649
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119625881
N-(2-amino-2-oxoethoxy)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550970

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 64815143) is 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is COCCN1CC(C(=O)NC2CCCC2C(=O)O)CC1=O.
What is the InChIKey of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is OCBUNEYZWLXHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-21-6-5-16-8-9(7-12(16)17)13(18)15-11-4-2-3-10(11)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).