3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C15H25N3O3 — CID 107324787

IUPAC3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCN(C(=O)CN1CCC(N)(C(=O)O)C1)C1=CCCCC1
InChIInChI=1S/C15H25N3O3/c1-2-18(12-6-4-3-5-7-12)13(19)10-17-9-8-15(16,11-17)14(20)21/h6H,2-5,7-11,16H2,1H3,(H,20,21)
InChIKeyIUZXNNBVLNNHIH-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324787) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID107324787
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCN(C(=O)CN1CCC(N)(C(=O)O)C1)C1=CCCCC1
InChIInChI=1S/C15H25N3O3/c1-2-18(12-6-4-3-5-7-12)13(19)10-17-9-8-15(16,11-17)14(20)21/h6H,2-5,7-11,16H2,1H3,(H,20,21)
InChIKeyIUZXNNBVLNNHIH-UHFFFAOYSA-N
XLogP0.78
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 115302497
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55462455
N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975890
N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
CID 107407836
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60969833
2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
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N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide
CID 115314324
2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 79994225
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 78955983
2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 107324787) is 3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is CCN(C(=O)CN1CCC(N)(C(=O)O)C1)C1=CCCCC1.
What is the InChIKey of 3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IUZXNNBVLNNHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-18(12-6-4-3-5-7-12)13(19)10-17-9-8-15(16,11-17)14(20)21/h6H,2-5,7-11,16H2,1H3,(H,20,21).
What are the key properties of 3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).