2,4-diaminobutanoic acid

C4H10N2O2 — CID 470

IUPAC2,4-diaminobutanoic acid
SMILESNCCC(N)C(=O)O
InChIInChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
InChIKeyOGNSCSPNOLGXSM-UHFFFAOYSA-N
MW118.14 g/mol
LogP-1.25
Rot. Bonds3

About 2,4-diaminobutanoic acid

2,4-diaminobutanoic acid (PubChem CID 470) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 2,4-diaminobutanoic acid.

Molecular Properties

Compound Name2,4-diaminobutanoic acid
PubChem CID470
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name2,4-diaminobutanoic acid
SMILESNCCC(N)C(=O)O
InChIInChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
InChIKeyOGNSCSPNOLGXSM-UHFFFAOYSA-N
XLogP-1.25
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
(-)-Asparagine
CID 6267
(-)-2-Aminobutyric acid
CID 80283
L-2,4-Diaminobutyric acid
CID 134490
D-Alpha-aminobutyric acid
CID 439691
D-Asparagine
CID 439600
Alpha-Aminobutyric Acid
CID 6657
DL-Asparagine
CID 236
L-Asparagine, monohydrate
CID 170358
L-2,4-diazaniumylbutyrate
CID 6971272
D-Asparagine hydrate
CID 16211197
2,4-Diaminobutyric acid dihydrochloride, (+-)-
CID 2724329

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminobutanoic acid?
The IUPAC name of 2,4-diaminobutanoic acid (CID 470) 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.
What is the InChIKey of 2,4-diaminobutanoic acid?
The InChIKey is OGNSCSPNOLGXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,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 118.14 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminobutanoic acid is sourced from PubChem (CID 470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).