1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid

C15H24N2O4 — CID 114351316

IUPAC1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)CN1CC(O)CC1C(=O)O)C1=CCCCC1
InChIInChI=1S/C15H24N2O4/c1-2-17(11-6-4-3-5-7-11)14(19)10-16-9-12(18)8-13(16)15(20)21/h6,12-13,18H,2-5,7-10H2,1H3,(H,20,21)
InChIKeyVADYUVKXQLFQGS-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.81
Rot. Bonds5

About 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351316) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351316
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)CN1CC(O)CC1C(=O)O)C1=CCCCC1
InChIInChI=1S/C15H24N2O4/c1-2-17(11-6-4-3-5-7-11)14(19)10-16-9-12(18)8-13(16)15(20)21/h6,12-13,18H,2-5,7-10H2,1H3,(H,20,21)
InChIKeyVADYUVKXQLFQGS-UHFFFAOYSA-N
XLogP0.81
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 79994225
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55462455
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 115302497
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60969833
N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975890
2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79005108
1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351672
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 61235935
N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80703389
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 63255496
2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79994189
N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide
CID 115314324

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351316) is 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCN(C(=O)CN1CC(O)CC1C(=O)O)C1=CCCCC1.
What is the InChIKey of 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is VADYUVKXQLFQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-17(11-6-4-3-5-7-11)14(19)10-16-9-12(18)8-13(16)15(20)21/h6,12-13,18H,2-5,7-10H2,1H3,(H,20,21).
What are the key properties of 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).