6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid

C10H14N2O4 — CID 19361018

IUPAC6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O4/c13-8-5-6-9(14)12(8)11-7-3-1-2-4-10(15)16/h5-6,11H,1-4,7H2,(H,15,16)
InChIKeyMRLGQNWMBLCWBJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.06
Rot. Bonds7

About 6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid

6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid (PubChem CID 19361018) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
PubChem CID19361018
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O4/c13-8-5-6-9(14)12(8)11-7-3-1-2-4-10(15)16/h5-6,11H,1-4,7H2,(H,15,16)
InChIKeyMRLGQNWMBLCWBJ-UHFFFAOYSA-N
XLogP0.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[(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

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
2-[(2,5-Dioxopyrrol-1-yl)amino]hexanoic acid
CID 67635438
(3S)-3-(aminomethyl)-5-methylhexanoic acid;N-(2,5-dioxopyrrol-1-yl)butanamide
CID 122512544
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
6-[6-[Prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid
CID 139983264
4-[(2,5-Dioxopyrrol-1-yl)amino]butanoic acid
CID 140670709
11-[(2,5-Dioxopyrrol-1-yl)amino]undecanoic acid
CID 141553607
12-[(2,5-Dioxopyrrol-1-yl)amino]dodecanoic acid
CID 141553608
(2S)-6-azido-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 145770998
6-Azido-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 156133699

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The IUPAC name of 6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid (CID 19361018) is 6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid is O=C(O)CCCCCNN1C(=O)C=CC1=O.
What is the InChIKey of 6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The InChIKey is MRLGQNWMBLCWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-8-5-6-9(14)12(8)11-7-3-1-2-4-10(15)16/h5-6,11H,1-4,7H2,(H,15,16).
What are the key properties of 6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid is sourced from PubChem (CID 19361018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).