bis(4-aminobutanoic acid);hydrate

C8H20N2O5 — CID 137366982

IUPACbis(4-aminobutanoic acid);hydrate
SMILESNCCCC(=O)O.NCCCC(=O)O.O
InChIInChI=1S/2C4H9NO2.H2O/c2*5-3-1-2-4(6)7;/h2*1-3,5H2,(H,6,7);1H2
InChIKeyUDQNUKKNMPVXGD-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.20
Rot. Bonds6

About bis(4-aminobutanoic acid);hydrate

bis(4-aminobutanoic acid);hydrate (PubChem CID 137366982) has the molecular formula C8H20N2O5 and a molecular weight of 224.26 g/mol. Its IUPAC name is bis(4-aminobutanoic acid);hydrate.

Molecular Properties

Compound Namebis(4-aminobutanoic acid);hydrate
PubChem CID137366982
Molecular FormulaC8H20N2O5
Molecular Weight224.26 g/mol
Exact Mass224.14
IUPAC Namebis(4-aminobutanoic acid);hydrate
SMILESNCCCC(=O)O.NCCCC(=O)O.O
InChIInChI=1S/2C4H9NO2.H2O/c2*5-3-1-2-4(6)7;/h2*1-3,5H2,(H,6,7);1H2
InChIKeyUDQNUKKNMPVXGD-UHFFFAOYSA-N
XLogP-1.20
TPSA158.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
gamma-Aminobutyric acid hydrochloride
CID 210329
4-Amino(~2~H_6_)butanoic acid
CID 12405755
4-Amino(2,2-~2~H_2_)butanoic acid
CID 57685050
4-(~15~N)Aminobutanoic acid
CID 71310334
(R)-4-Amino-3-fluorobutanoic acid
CID 101453783
4-Amino-2-fluorobutanoic acid
CID 2735915
4-Amino-3-fluorobutanoic acid
CID 12510837
3-Carboxypropylammonium chloride
CID 88326656
3-Carboxypropylazanium
CID 449579
(S)-4-Amino-3-fluorobutanoic acid
CID 23727888
4-Diaminobutyric acid
CID 53823588

Frequently Asked Questions

What is the IUPAC name of bis(4-aminobutanoic acid);hydrate?
The IUPAC name of bis(4-aminobutanoic acid);hydrate (CID 137366982) is bis(4-aminobutanoic acid);hydrate.
What is the SMILES notation for bis(4-aminobutanoic acid);hydrate?
The canonical SMILES for bis(4-aminobutanoic acid);hydrate is NCCCC(=O)O.NCCCC(=O)O.O.
What is the InChIKey of bis(4-aminobutanoic acid);hydrate?
The InChIKey is UDQNUKKNMPVXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO2.H2O/c2*5-3-1-2-4(6)7;/h2*1-3,5H2,(H,6,7);1H2.
What are the key properties of bis(4-aminobutanoic acid);hydrate?
bis(4-aminobutanoic acid);hydrate has a molecular weight of 224.26 g/mol, XLogP of -1.20, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-aminobutanoic acid);hydrate is sourced from PubChem (CID 137366982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).