zinc 2,5-diaminopentanoic acid

C5H12N2O2Zn+2 — CID 56838280

IUPACzinc 2,5-diaminopentanoic acid
SMILESNCCCC(N)C(=O)O.[Zn+2]
InChIInChI=1S/C5H12N2O2.Zn/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);/q;+2
InChIKeyKDITTYSTFCKKGK-UHFFFAOYSA-N
MW197.55 g/mol
LogP-0.87
Rot. Bonds4

About zinc 2,5-diaminopentanoic acid

zinc 2,5-diaminopentanoic acid (PubChem CID 56838280) has the molecular formula C5H12N2O2Zn+2 and a molecular weight of 197.55 g/mol. Its IUPAC name is zinc 2,5-diaminopentanoic acid.

Molecular Properties

Compound Namezinc 2,5-diaminopentanoic acid
PubChem CID56838280
Molecular FormulaC5H12N2O2Zn+2
Molecular Weight197.55 g/mol
Exact Mass196.02
IUPAC Namezinc 2,5-diaminopentanoic acid
SMILESNCCCC(N)C(=O)O.[Zn+2]
InChIInChI=1S/C5H12N2O2.Zn/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);/q;+2
InChIKeyKDITTYSTFCKKGK-UHFFFAOYSA-N
XLogP-0.87
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.55
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
carbamic acid;2,5-diaminopentanoic acid
CID 22153959
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
2,5-diaminopentanoic acid;ethane-1,2-diol
CID 174654889
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,7,10-triaminodecanoic acid
CID 141070703
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
CID 158432126
CID 158432126

Frequently Asked Questions

What is the IUPAC name of zinc 2,5-diaminopentanoic acid?
The IUPAC name of zinc 2,5-diaminopentanoic acid (CID 56838280) is zinc 2,5-diaminopentanoic acid.
What is the SMILES notation for zinc 2,5-diaminopentanoic acid?
The canonical SMILES for zinc 2,5-diaminopentanoic acid is NCCCC(N)C(=O)O.[Zn+2].
What is the InChIKey of zinc 2,5-diaminopentanoic acid?
The InChIKey is KDITTYSTFCKKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.Zn/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);/q;+2.
What are the key properties of zinc 2,5-diaminopentanoic acid?
zinc 2,5-diaminopentanoic acid has a molecular weight of 197.55 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2,5-diaminopentanoic acid is sourced from PubChem (CID 56838280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).