2,4-diaminobutanoic acid

C8H20N4O4 — CID 158725018

IUPAC2,4-diaminobutanoic acid
SMILESNCCC(N)C(=O)O.NCCC(N)C(=O)O
InChIInChI=1S/2C4H10N2O2/c2*5-2-1-3(6)4(7)8/h2*3H,1-2,5-6H2,(H,7,8)
InChIKeyIKJWWXBKZKPIKU-UHFFFAOYSA-N
MW236.27 g/mol
LogP-2.51
Rot. Bonds6

About 2,4-diaminobutanoic acid

2,4-diaminobutanoic acid (PubChem CID 158725018) has the molecular formula C8H20N4O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2,4-diaminobutanoic acid.

Molecular Properties

Compound Name2,4-diaminobutanoic acid
PubChem CID158725018
Molecular FormulaC8H20N4O4
Molecular Weight236.27 g/mol
Exact Mass236.15
IUPAC Name2,4-diaminobutanoic acid
SMILESNCCC(N)C(=O)O.NCCC(N)C(=O)O
InChIInChI=1S/2C4H10N2O2/c2*5-2-1-3(6)4(7)8/h2*3H,1-2,5-6H2,(H,7,8)
InChIKeyIKJWWXBKZKPIKU-UHFFFAOYSA-N
XLogP-2.51
TPSA178.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.27
LogP ≤ 5-2.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
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
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
carbamic acid;2,5-diaminopentanoic acid
CID 22153959

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminobutanoic acid?
The IUPAC name of 2,4-diaminobutanoic acid (CID 158725018) is 2,4-diaminobutanoic acid.
What is the SMILES notation for 2,4-diaminobutanoic acid?
The canonical SMILES for 2,4-diaminobutanoic acid is NCCC(N)C(=O)O.NCCC(N)C(=O)O.
What is the InChIKey of 2,4-diaminobutanoic acid?
The InChIKey is IKJWWXBKZKPIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10N2O2/c2*5-2-1-3(6)4(7)8/h2*3H,1-2,5-6H2,(H,7,8).
What are the key properties of 2,4-diaminobutanoic acid?
2,4-diaminobutanoic acid has a molecular weight of 236.27 g/mol, XLogP of -2.51, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminobutanoic acid is sourced from PubChem (CID 158725018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).