N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide

C10H19N3O3 — CID 104593841

IUPACN-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(O)CNCCNC(=O)C1CCC(=O)N1
InChIInChI=1S/C10H19N3O3/c1-7(14)6-11-4-5-12-10(16)8-2-3-9(15)13-8/h7-8,11,14H,2-6H2,1H3,(H,12,16)(H,13,15)
InChIKeyMYZDFZPIEAAESM-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.65
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 104593841) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID104593841
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(O)CNCCNC(=O)C1CCC(=O)N1
InChIInChI=1S/C10H19N3O3/c1-7(14)6-11-4-5-12-10(16)8-2-3-9(15)13-8/h7-8,11,14H,2-6H2,1H3,(H,12,16)(H,13,15)
InChIKeyMYZDFZPIEAAESM-UHFFFAOYSA-N
XLogP-1.65
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110689693
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110462101
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 19751769
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide
CID 63731996
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 104593841) is N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide is CC(O)CNCCNC(=O)C1CCC(=O)N1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MYZDFZPIEAAESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(14)6-11-4-5-12-10(16)8-2-3-9(15)13-8/h7-8,11,14H,2-6H2,1H3,(H,12,16)(H,13,15).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 104593841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).