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

C10H15N3O4 — CID 54180362

IUPAC(2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
SMILESNCCCC[C@H](NN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C10H15N3O4/c11-6-2-1-3-7(10(16)17)12-13-8(14)4-5-9(13)15/h4-5,7,12H,1-3,6,11H2,(H,16,17)/t7-/m0/s1
InChIKeyPBIVGOXGPCZFST-ZETCQYMHSA-N
MW241.25 g/mol
LogP-1.00
Rot. Bonds7

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

(2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid (PubChem CID 54180362) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
PubChem CID54180362
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
SMILESNCCCC[C@H](NN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C10H15N3O4/c11-6-2-1-3-7(10(16)17)12-13-8(14)4-5-9(13)15/h4-5,7,12H,1-3,6,11H2,(H,16,17)/t7-/m0/s1
InChIKeyPBIVGOXGPCZFST-ZETCQYMHSA-N
XLogP-1.00
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
2-[(2,5-Dioxopyrrol-1-yl)amino]hexanoic acid
CID 67635438
(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 (2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid (CID 54180362) is (2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid is NCCCC[C@H](NN1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The InChIKey is PBIVGOXGPCZFST-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O4/c11-6-2-1-3-7(10(16)17)12-13-8(14)4-5-9(13)15/h4-5,7,12H,1-3,6,11H2,(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
(2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid has a molecular weight of 241.25 g/mol, XLogP of -1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid is sourced from PubChem (CID 54180362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).