tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate

C15H28N2O4 — CID 144716325

IUPACtert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate
SMILESCCOCC(=O)NCC1CN(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C15H28N2O4/c1-6-20-10-13(18)16-7-12-9-17(8-11(12)2)14(19)21-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyKYRVXZYBANAKRU-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.64
Rot. Bonds5

About tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate

tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate (PubChem CID 144716325) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate
PubChem CID144716325
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate
SMILESCCOCC(=O)NCC1CN(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C15H28N2O4/c1-6-20-10-13(18)16-7-12-9-17(8-11(12)2)14(19)21-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyKYRVXZYBANAKRU-UHFFFAOYSA-N
XLogP1.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate (CID 144716325) is tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate is CCOCC(=O)NCC1CN(C(=O)OC(C)(C)C)CC1C.
What is the InChIKey of tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate?
The InChIKey is KYRVXZYBANAKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-6-20-10-13(18)16-7-12-9-17(8-11(12)2)14(19)21-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate?
tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(2-ethoxyacetyl)amino]methyl]-4-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 144716325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).