N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide

C9H17N3O2 — CID 63731996

IUPACN-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCC(N)CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C9H17N3O2/c1-2-6(10)5-11-9(14)7-3-4-8(13)12-7/h6-7H,2-5,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyBSZMOZABLGZYAN-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.88
Rot. Bonds4

About N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide

N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 63731996) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID63731996
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCC(N)CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C9H17N3O2/c1-2-6(10)5-11-9(14)7-3-4-8(13)12-7/h6-7H,2-5,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyBSZMOZABLGZYAN-UHFFFAOYSA-N
XLogP-0.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110462101
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110689693
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 43500469
N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 104593841
5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
CID 65493096
(3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
CID 65493069
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide (CID 63731996) is N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide is CCC(N)CNC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BSZMOZABLGZYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-6(10)5-11-9(14)7-3-4-8(13)12-7/h6-7H,2-5,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide?
N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 63731996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).