tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate

C14H24N2O5 — CID 14308497

IUPACtert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)CNC(=O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-5-20-11(17)9-15-12(18)10-7-6-8-16(10)13(19)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)
InChIKeySVQJFCQAAKQKPJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.07
Rot. Bonds4

About tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate

tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 14308497) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID14308497
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Nametert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)CNC(=O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-5-20-11(17)9-15-12(18)10-7-6-8-16(10)13(19)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)
InChIKeySVQJFCQAAKQKPJ-UHFFFAOYSA-N
XLogP1.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate (CID 14308497) is tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate is CCOC(=O)CNC(=O)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is SVQJFCQAAKQKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-5-20-11(17)9-15-12(18)10-7-6-8-16(10)13(19)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 14308497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).