2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid

C15H22N2O4 — CID 62695219

IUPAC2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NC1CC(=O)N(C2CCCCC2)C1=O)C1CC1
InChIInChI=1S/C15H22N2O4/c18-12-8-11(16-13(15(20)21)9-6-7-9)14(19)17(12)10-4-2-1-3-5-10/h9-11,13,16H,1-8H2,(H,20,21)
InChIKeyODERAMPXOZXCND-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.90
Rot. Bonds5

About 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid

2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid (PubChem CID 62695219) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid
PubChem CID62695219
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NC1CC(=O)N(C2CCCCC2)C1=O)C1CC1
InChIInChI=1S/C15H22N2O4/c18-12-8-11(16-13(15(20)21)9-6-7-9)14(19)17(12)10-4-2-1-3-5-10/h9-11,13,16H,1-8H2,(H,20,21)
InChIKeyODERAMPXOZXCND-UHFFFAOYSA-N
XLogP0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid (CID 62695219) is 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid is O=C(O)C(NC1CC(=O)N(C2CCCCC2)C1=O)C1CC1.
What is the InChIKey of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid?
The InChIKey is ODERAMPXOZXCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-12-8-11(16-13(15(20)21)9-6-7-9)14(19)17(12)10-4-2-1-3-5-10/h9-11,13,16H,1-8H2,(H,20,21).
What are the key properties of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid?
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid has a molecular weight of 294.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).