butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid

C9H24N4O2 — CID 87187240

IUPACbutane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
SMILESNCCCCN.NCCC[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O2.C4H12N2/c6-3-1-2-4(7)5(8)9;5-3-1-2-4-6/h4H,1-3,6-7H2,(H,8,9);1-6H2/t4-;/m0./s1
InChIKeyMYUQMEJKRPRALU-WCCKRBBISA-N
MW220.32 g/mol
LogP-1.18
Rot. Bonds7

About butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid

butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid (PubChem CID 87187240) has the molecular formula C9H24N4O2 and a molecular weight of 220.32 g/mol. Its IUPAC name is butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid.

Molecular Properties

Compound Namebutane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
PubChem CID87187240
Molecular FormulaC9H24N4O2
Molecular Weight220.32 g/mol
Exact Mass220.19
IUPAC Namebutane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
SMILESNCCCCN.NCCC[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O2.C4H12N2/c6-3-1-2-4(7)5(8)9;5-3-1-2-4-6/h4H,1-3,6-7H2,(H,8,9);1-6H2/t4-;/m0./s1
InChIKeyMYUQMEJKRPRALU-WCCKRBBISA-N
XLogP-1.18
TPSA141.38 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 5-1.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
zinc 2,5-diaminopentanoic acid
CID 56838280
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533
2,13-diaminotridecanoic acid
CID 141414897
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
2,6-diaminohexanoic acid;titanium
CID 174642581
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370

Frequently Asked Questions

What is the IUPAC name of butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid?
The IUPAC name of butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid (CID 87187240) is butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid.
What is the SMILES notation for butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid?
The canonical SMILES for butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid is NCCCCN.NCCC[C@H](N)C(=O)O.
What is the InChIKey of butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid?
The InChIKey is MYUQMEJKRPRALU-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12N2O2.C4H12N2/c6-3-1-2-4(7)5(8)9;5-3-1-2-4-6/h4H,1-3,6-7H2,(H,8,9);1-6H2/t4-;/m0./s1.
What are the key properties of butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid?
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid has a molecular weight of 220.32 g/mol, XLogP of -1.18, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid is sourced from PubChem (CID 87187240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).