2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid

C14H19NO4 — CID 114512313

IUPAC2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid
SMILESCCC1CC2C(=O)N(C(C(=O)O)C3CC3)C(=O)C2C1
InChIInChI=1S/C14H19NO4/c1-2-7-5-9-10(6-7)13(17)15(12(9)16)11(14(18)19)8-3-4-8/h7-11H,2-6H2,1H3,(H,18,19)
InChIKeyIFLWCEBMEKUFNW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.27
Rot. Bonds4

About 2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid

2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid (PubChem CID 114512313) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid
PubChem CID114512313
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid
SMILESCCC1CC2C(=O)N(C(C(=O)O)C3CC3)C(=O)C2C1
InChIInChI=1S/C14H19NO4/c1-2-7-5-9-10(6-7)13(17)15(12(9)16)11(14(18)19)8-3-4-8/h7-11H,2-6H2,1H3,(H,18,19)
InChIKeyIFLWCEBMEKUFNW-UHFFFAOYSA-N
XLogP1.27
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanedioic acid
CID 114512304
2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid
CID 64835910
5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 106159457
5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid
CID 114512330
2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513713
2-cyclohexyl-2-(3-ethylazetidin-1-yl)acetic acid
CID 79694528
5-ethyl-2-[(1S,2S)-2-hydroxycyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 102735297
5-ethyl-2-[1-(hydroxymethyl)cyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513168
methyl 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetate
CID 114512851
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoic acid
CID 7007237
2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanoic acid
CID 103979257
(2S)-2-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)acetic acid
CID 172878120

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid (CID 114512313) is 2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid is CCC1CC2C(=O)N(C(C(=O)O)C3CC3)C(=O)C2C1.
What is the InChIKey of 2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid?
The InChIKey is IFLWCEBMEKUFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-7-5-9-10(6-7)13(17)15(12(9)16)11(14(18)19)8-3-4-8/h7-11H,2-6H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid?
2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid is sourced from PubChem (CID 114512313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).