2-aminobutanoic acid;butanediamide

C8H17N3O4 — CID 87949418

IUPAC2-aminobutanoic acid;butanediamide
SMILESCCC(N)C(=O)O.NC(=O)CCC(N)=O
InChIInChI=1S/C4H8N2O2.C4H9NO2/c5-3(7)1-2-4(6)8;1-2-3(5)4(6)7/h1-2H2,(H2,5,7)(H2,6,8);3H,2,5H2,1H3,(H,6,7)
InChIKeyQGNBKJHRGQYVPU-UHFFFAOYSA-N
MW219.24 g/mol
LogP-1.45
Rot. Bonds5

About 2-aminobutanoic acid;butanediamide

2-aminobutanoic acid;butanediamide (PubChem CID 87949418) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-aminobutanoic acid;butanediamide.

Molecular Properties

Compound Name2-aminobutanoic acid;butanediamide
PubChem CID87949418
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name2-aminobutanoic acid;butanediamide
SMILESCCC(N)C(=O)O.NC(=O)CCC(N)=O
InChIInChI=1S/C4H8N2O2.C4H9NO2/c5-3(7)1-2-4(6)8;1-2-3(5)4(6)7/h1-2H2,(H2,5,7)(H2,6,8);3H,2,5H2,1H3,(H,6,7)
InChIKeyQGNBKJHRGQYVPU-UHFFFAOYSA-N
XLogP-1.45
TPSA149.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-aminobutanoic acid;butanediamide 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

2-aminobutanoic acid;ethane
CID 90764297
aluminum 2-aminobutanoic acid
CID 19792235
2-aminobutanoic acid;sulfane
CID 162128083
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2-aminobutanoic acid;2-methylprop-2-enoic acid
CID 161129910
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanoic acid;butanediamide?
The IUPAC name of 2-aminobutanoic acid;butanediamide (CID 87949418) is 2-aminobutanoic acid;butanediamide.
What is the SMILES notation for 2-aminobutanoic acid;butanediamide?
The canonical SMILES for 2-aminobutanoic acid;butanediamide is CCC(N)C(=O)O.NC(=O)CCC(N)=O.
What is the InChIKey of 2-aminobutanoic acid;butanediamide?
The InChIKey is QGNBKJHRGQYVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2.C4H9NO2/c5-3(7)1-2-4(6)8;1-2-3(5)4(6)7/h1-2H2,(H2,5,7)(H2,6,8);3H,2,5H2,1H3,(H,6,7).
What are the key properties of 2-aminobutanoic acid;butanediamide?
2-aminobutanoic acid;butanediamide has a molecular weight of 219.24 g/mol, XLogP of -1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanoic acid;butanediamide is sourced from PubChem (CID 87949418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).