cerium;(2R)-2,5-diaminopentanoic acid

C5H12CeN2O2 — CID 175036694

IUPACcerium;(2R)-2,5-diaminopentanoic acid
SMILESNCCC[C@@H](N)C(=O)O.[Ce]
InChIInChI=1S/C5H12N2O2.Ce/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);/t4-;/m1./s1
InChIKeyCJQHQEMDESRYBX-PGMHMLKASA-N
MW272.28 g/mol
LogP-0.86
Rot. Bonds4

About cerium;(2R)-2,5-diaminopentanoic acid

cerium;(2R)-2,5-diaminopentanoic acid (PubChem CID 175036694) has the molecular formula C5H12CeN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is cerium;(2R)-2,5-diaminopentanoic acid.

Molecular Properties

Compound Namecerium;(2R)-2,5-diaminopentanoic acid
PubChem CID175036694
Molecular FormulaC5H12CeN2O2
Molecular Weight272.28 g/mol
Exact Mass272.00
IUPAC Namecerium;(2R)-2,5-diaminopentanoic acid
SMILESNCCC[C@@H](N)C(=O)O.[Ce]
InChIInChI=1S/C5H12N2O2.Ce/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);/t4-;/m1./s1
InChIKeyCJQHQEMDESRYBX-PGMHMLKASA-N
XLogP-0.86
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cerium;(2R)-2,5-diaminopentanoic 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

zinc 2,5-diaminopentanoic acid
CID 56838280
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370
carbamic acid;2,5-diaminopentanoic acid
CID 22153959
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
(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
2,13-diaminotridecanoic acid
CID 141414897

Frequently Asked Questions

What is the IUPAC name of cerium;(2R)-2,5-diaminopentanoic acid?
The IUPAC name of cerium;(2R)-2,5-diaminopentanoic acid (CID 175036694) is cerium;(2R)-2,5-diaminopentanoic acid.
What is the SMILES notation for cerium;(2R)-2,5-diaminopentanoic acid?
The canonical SMILES for cerium;(2R)-2,5-diaminopentanoic acid is NCCC[C@@H](N)C(=O)O.[Ce].
What is the InChIKey of cerium;(2R)-2,5-diaminopentanoic acid?
The InChIKey is CJQHQEMDESRYBX-PGMHMLKASA-N. The full InChI is InChI=1S/C5H12N2O2.Ce/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);/t4-;/m1./s1.
What are the key properties of cerium;(2R)-2,5-diaminopentanoic acid?
cerium;(2R)-2,5-diaminopentanoic acid has a molecular weight of 272.28 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;(2R)-2,5-diaminopentanoic acid is sourced from PubChem (CID 175036694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).