2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid

C10H14N2O4 — CID 67635438

IUPAC2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
SMILESCCCCC(NN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-2-3-4-7(10(15)16)11-12-8(13)5-6-9(12)14/h5-7,11H,2-4H2,1H3,(H,15,16)
InChIKeyMKBBNAIYHXNPMO-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.06
Rot. Bonds6

About 2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid

2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid (PubChem CID 67635438) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
PubChem CID67635438
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
SMILESCCCCC(NN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-2-3-4-7(10(15)16)11-12-8(13)5-6-9(12)14/h5-7,11H,2-4H2,1H3,(H,15,16)
InChIKeyMKBBNAIYHXNPMO-UHFFFAOYSA-N
XLogP0.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic 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

N-maleoyl aminobutyric acid
CID 129689391
(2S)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513405
(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513406
N-maleimido-6-aminocaproic acid
CID 19361018
6-Amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 22717609
(2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 54180362
(2S)-2,6-diaminohexanoic acid;pyrrole-2,5-dione
CID 68820431
2,6-Diaminohexanoic acid;pyrrole-2,5-dione
CID 77559390
(2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate
CID 126572367
6-Amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 126572368
(2S)-6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 126572371
(2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid
CID 130236139

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The IUPAC name of 2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid (CID 67635438) is 2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid is CCCCC(NN1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of 2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The InChIKey is MKBBNAIYHXNPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-3-4-7(10(15)16)11-12-8(13)5-6-9(12)14/h5-7,11H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid is sourced from PubChem (CID 67635438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).