(2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid

C10H15N3O4 — CID 90785740

IUPAC(2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
SMILESNC(CCC[C@H](N)C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O4/c11-6(10(16)17)2-1-3-7(12)13-8(14)4-5-9(13)15/h4-7H,1-3,11-12H2,(H,16,17)/t6-,7?/m0/s1
InChIKeyGOGZVKPHOSZKMA-PKPIPKONSA-N
MW241.25 g/mol
LogP-1.22
Rot. Bonds6

About (2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid

(2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid (PubChem CID 90785740) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid.

Molecular Properties

Compound Name(2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
PubChem CID90785740
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
SMILESNC(CCC[C@H](N)C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O4/c11-6(10(16)17)2-1-3-7(12)13-8(14)4-5-9(13)15/h4-7H,1-3,11-12H2,(H,16,17)/t6-,7?/m0/s1
InChIKeyGOGZVKPHOSZKMA-PKPIPKONSA-N
XLogP-1.22
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)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

2-Amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid
CID 57885144
N6-(3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl)-L-lysine
CID 59776303
(2S)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid;2,2,2-trifluoroacetic acid
CID 176207459
2-acetamido-6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid
CID 90826157
r-2-Acetylamino-6-(2,5-dihydro-2-oxo-1h-pyrrol-1-yl)-1-hexanoic acid
CID 132275741
Hemoglobin Crosfumaril (Bovine)
CID 86278351
(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
6-Amino-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoic acid
CID 18671256
6-Amino-2-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 19766657
6-amino-2-[bis[(E)-but-2-enoyl]amino]hexanoic acid
CID 20131973
(2S)-6-amino-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoic acid
CID 20677112

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid?
The IUPAC name of (2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid (CID 90785740) is (2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid.
What is the SMILES notation for (2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid?
The canonical SMILES for (2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid is NC(CCC[C@H](N)C(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of (2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid?
The InChIKey is GOGZVKPHOSZKMA-PKPIPKONSA-N. The full InChI is InChI=1S/C10H15N3O4/c11-6(10(16)17)2-1-3-7(12)13-8(14)4-5-9(13)15/h4-7H,1-3,11-12H2,(H,16,17)/t6-,7?/m0/s1.
What are the key properties of (2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid?
(2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid has a molecular weight of 241.25 g/mol, XLogP of -1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid is sourced from PubChem (CID 90785740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).