2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate

C19H32N4O6 — CID 174061168

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate
SMILESO=C(NCCCCCNC(=O)OCCN1CCCC1=O)OCCN1CCCC1=O
InChIInChI=1S/C19H32N4O6/c24-16-6-4-10-22(16)12-14-28-18(26)20-8-2-1-3-9-21-19(27)29-15-13-23-11-5-7-17(23)25/h1-15H2,(H,20,26)(H,21,27)
InChIKeyAARULLNZSWNGGA-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.85
Rot. Bonds12

About 2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate

2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate (PubChem CID 174061168) has the molecular formula C19H32N4O6 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate
PubChem CID174061168
Molecular FormulaC19H32N4O6
Molecular Weight412.49 g/mol
Exact Mass412.23
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate
SMILESO=C(NCCCCCNC(=O)OCCN1CCCC1=O)OCCN1CCCC1=O
InChIInChI=1S/C19H32N4O6/c24-16-6-4-10-22(16)12-14-28-18(26)20-8-2-1-3-9-21-19(27)29-15-13-23-11-5-7-17(23)25/h1-15H2,(H,20,26)(H,21,27)
InChIKeyAARULLNZSWNGGA-UHFFFAOYSA-N
XLogP0.85
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate (CID 174061168) is 2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate is O=C(NCCCCCNC(=O)OCCN1CCCC1=O)OCCN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate?
The InChIKey is AARULLNZSWNGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O6/c24-16-6-4-10-22(16)12-14-28-18(26)20-8-2-1-3-9-21-19(27)29-15-13-23-11-5-7-17(23)25/h1-15H2,(H,20,26)(H,21,27).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate?
2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate has a molecular weight of 412.49 g/mol, XLogP of 0.85, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl N-[5-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonylamino]pentyl]carbamate is sourced from PubChem (CID 174061168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).