azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde

C12H21N3O4 — CID 161228325

IUPACazane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde
SMILESN.NCCC[C@H](N)C(=O)O.O=Cc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C5H12N2O2.H3N/c8-5-6-1-3-7(9)4-2-6;6-3-1-2-4(7)5(8)9;/h1-5,9H;4H,1-3,6-7H2,(H,8,9);1H3/t;4-;/m.0./s1
InChIKeyUYKMLLKWABHIMF-INZIHYEWSA-N
MW271.32 g/mol
LogP0.50
Rot. Bonds5

About azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde

azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde (PubChem CID 161228325) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde.

Molecular Properties

Compound Nameazane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde
PubChem CID161228325
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Nameazane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde
SMILESN.NCCC[C@H](N)C(=O)O.O=Cc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C5H12N2O2.H3N/c8-5-6-1-3-7(9)4-2-6;6-3-1-2-4(7)5(8)9;/h1-5,9H;4H,1-3,6-7H2,(H,8,9);1H3/t;4-;/m.0./s1
InChIKeyUYKMLLKWABHIMF-INZIHYEWSA-N
XLogP0.50
TPSA161.64 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;(2S)-2,5-diaminopentanoic acid;4-pentylbenzaldehyde
CID 158229133
2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid
CID 161215657
azane;(2S)-2,5-diaminopentanoic acid;2-phenylacetic acid;4-phenylbenzaldehyde
CID 159604451
azane;(2S)-2,5-diaminopentanoic acid;oxolane-2,5-dione;4-phenylbenzaldehyde
CID 161166605
2-aminoacetic acid;azane;(2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)butanamide
CID 173288282
cyclohexanamine;(2S)-2,5-diaminopentanoic acid;hydron;4-phenylbenzaldehyde
CID 173276644
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
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
azane;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;oxolane-2,5-dione
CID 158471624
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370

Frequently Asked Questions

What is the IUPAC name of azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde?
The IUPAC name of azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde (CID 161228325) is azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde.
What is the SMILES notation for azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde?
The canonical SMILES for azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde is N.NCCC[C@H](N)C(=O)O.O=Cc1ccc(O)cc1.
What is the InChIKey of azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde?
The InChIKey is UYKMLLKWABHIMF-INZIHYEWSA-N. The full InChI is InChI=1S/C7H6O2.C5H12N2O2.H3N/c8-5-6-1-3-7(9)4-2-6;6-3-1-2-4(7)5(8)9;/h1-5,9H;4H,1-3,6-7H2,(H,8,9);1H3/t;4-;/m.0./s1.
What are the key properties of azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde?
azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde has a molecular weight of 271.32 g/mol, XLogP of 0.50, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2S)-2,5-diaminopentanoic acid;4-hydroxybenzaldehyde is sourced from PubChem (CID 161228325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).