2,3-diaminobutanoic acid;hydrobromide

C4H11BrN2O2 — CID 84819421

IUPAC2,3-diaminobutanoic acid;hydrobromide
SMILESBr.CC(N)C(N)C(=O)O
InChIInChI=1S/C4H10N2O2.BrH/c1-2(5)3(6)4(7)8;/h2-3H,5-6H2,1H3,(H,7,8);1H
InChIKeyKFKONZJZHVBCIQ-UHFFFAOYSA-N
MW199.05 g/mol
LogP-0.68
Rot. Bonds2

About 2,3-diaminobutanoic acid;hydrobromide

2,3-diaminobutanoic acid;hydrobromide (PubChem CID 84819421) has the molecular formula C4H11BrN2O2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 2,3-diaminobutanoic acid;hydrobromide.

Molecular Properties

Compound Name2,3-diaminobutanoic acid;hydrobromide
PubChem CID84819421
Molecular FormulaC4H11BrN2O2
Molecular Weight199.05 g/mol
Exact Mass198.00
IUPAC Name2,3-diaminobutanoic acid;hydrobromide
SMILESBr.CC(N)C(N)C(=O)O
InChIInChI=1S/C4H10N2O2.BrH/c1-2(5)3(6)4(7)8;/h2-3H,5-6H2,1H3,(H,7,8);1H
InChIKeyKFKONZJZHVBCIQ-UHFFFAOYSA-N
XLogP-0.68
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
CID 71463685
(2R,3S)-2,3-diaminobutanoic acid;dihydrochloride
CID 15941603
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2S)-2-aminopropanoic acid;polane
CID 173022618
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminobutanoic acid;hydrobromide?
The IUPAC name of 2,3-diaminobutanoic acid;hydrobromide (CID 84819421) is 2,3-diaminobutanoic acid;hydrobromide.
What is the SMILES notation for 2,3-diaminobutanoic acid;hydrobromide?
The canonical SMILES for 2,3-diaminobutanoic acid;hydrobromide is Br.CC(N)C(N)C(=O)O.
What is the InChIKey of 2,3-diaminobutanoic acid;hydrobromide?
The InChIKey is KFKONZJZHVBCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.BrH/c1-2(5)3(6)4(7)8;/h2-3H,5-6H2,1H3,(H,7,8);1H.
What are the key properties of 2,3-diaminobutanoic acid;hydrobromide?
2,3-diaminobutanoic acid;hydrobromide has a molecular weight of 199.05 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminobutanoic acid;hydrobromide is sourced from PubChem (CID 84819421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).