2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid

C10H12N2O5 — CID 140634868

IUPAC2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid
SMILESNCC(C(=O)O)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H12N2O5/c11-5-6(10(16)17)7(13)3-4-12-8(14)1-2-9(12)15/h1-2,6H,3-5,11H2,(H,16,17)
InChIKeyWFUSHAUXPHQMMO-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.47
Rot. Bonds6

About 2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid

2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid (PubChem CID 140634868) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid
PubChem CID140634868
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid
SMILESNCC(C(=O)O)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H12N2O5/c11-5-6(10(16)17)7(13)3-4-12-8(14)1-2-9(12)15/h1-2,6H,3-5,11H2,(H,16,17)
InChIKeyWFUSHAUXPHQMMO-UHFFFAOYSA-N
XLogP-1.47
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
CID 23385993
(2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid
CID 131866140
3-(2,5-dioxopyrrol-1-yl)propanoic acid;propanoic acid
CID 159459878
(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513406
(2S)-6-amino-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid
CID 69465675
5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid
CID 22078143
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002
2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 175693527
(4S)-4,8-diamino-2-[4-(2,5-dioxopyrrol-1-yl)butyl]-3-oxooctanoic acid
CID 66662829
4-[4-(2,5-dioxopyrrol-1-yl)butyl]pent-2-enedioic acid
CID 66635983
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid?
The IUPAC name of 2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid (CID 140634868) is 2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid?
The canonical SMILES for 2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid is NCC(C(=O)O)C(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid?
The InChIKey is WFUSHAUXPHQMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c11-5-6(10(16)17)7(13)3-4-12-8(14)1-2-9(12)15/h1-2,6H,3-5,11H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid?
2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid has a molecular weight of 240.22 g/mol, XLogP of -1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid is sourced from PubChem (CID 140634868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).