1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

C16H19NO3 — CID 66396479

IUPAC1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2Cc3ccccc32)C1
InChIInChI=1S/C16H19NO3/c1-2-16(15(19)20)7-8-17(10-16)14(18)13-9-11-5-3-4-6-12(11)13/h3-6,13H,2,7-10H2,1H3,(H,19,20)
InChIKeySYURXUMVGCSKAW-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.04
Rot. Bonds3

About 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 66396479) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID66396479
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2Cc3ccccc32)C1
InChIInChI=1S/C16H19NO3/c1-2-16(15(19)20)7-8-17(10-16)14(18)13-9-11-5-3-4-6-12(11)13/h3-6,13H,2,7-10H2,1H3,(H,19,20)
InChIKeySYURXUMVGCSKAW-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66394637
1-[2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-phenylprop-2-yn-1-one
CID 3775847
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 66395509
3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63146380
3-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 63146599
3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146811
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one
CID 66395152
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
3-[4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperazin-1-yl]propanoic acid
CID 66396669
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839103
3-ethyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63146290
3-ethyl-1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 178195550

Frequently Asked Questions

What is the IUPAC name of 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (CID 66396479) is 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C2Cc3ccccc32)C1.
What is the InChIKey of 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is SYURXUMVGCSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-16(15(19)20)7-8-17(10-16)14(18)13-9-11-5-3-4-6-12(11)13/h3-6,13H,2,7-10H2,1H3,(H,19,20).
What are the key properties of 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66396479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).