(2S)-2,4-diaminobutanoic acid;hydrobromide

C4H11BrN2O2 — CID 46735201

IUPAC(2S)-2,4-diaminobutanoic acid;hydrobromide
SMILESBr.NCC[C@H](N)C(=O)O
InChIInChI=1S/C4H10N2O2.BrH/c5-2-1-3(6)4(7)8;/h3H,1-2,5-6H2,(H,7,8);1H/t3-;/m0./s1
InChIKeyRVCHWEZQMFNGBK-DFWYDOINSA-N
MW199.05 g/mol
LogP-0.68
Rot. Bonds3

About (2S)-2,4-diaminobutanoic acid;hydrobromide

(2S)-2,4-diaminobutanoic acid;hydrobromide (PubChem CID 46735201) has the molecular formula C4H11BrN2O2 and a molecular weight of 199.05 g/mol. Its IUPAC name is (2S)-2,4-diaminobutanoic acid;hydrobromide.

Molecular Properties

Compound Name(2S)-2,4-diaminobutanoic acid;hydrobromide
PubChem CID46735201
Molecular FormulaC4H11BrN2O2
Molecular Weight199.05 g/mol
Exact Mass198.00
IUPAC Name(2S)-2,4-diaminobutanoic acid;hydrobromide
SMILESBr.NCC[C@H](N)C(=O)O
InChIInChI=1S/C4H10N2O2.BrH/c5-2-1-3(6)4(7)8;/h3H,1-2,5-6H2,(H,7,8);1H/t3-;/m0./s1
InChIKeyRVCHWEZQMFNGBK-DFWYDOINSA-N
XLogP-0.68
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

(-)-Asparagine
CID 6267
2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
D-Asparagine
CID 439600
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
2,4-Diaminobutyric acid, D-
CID 638153
2,4-Diaminobutanoic acid hydrochloride
CID 12430454
L-2,4-Diaminobutyric acid dihydrochloride
CID 2724265

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-diaminobutanoic acid;hydrobromide?
The IUPAC name of (2S)-2,4-diaminobutanoic acid;hydrobromide (CID 46735201) is (2S)-2,4-diaminobutanoic acid;hydrobromide.
What is the SMILES notation for (2S)-2,4-diaminobutanoic acid;hydrobromide?
The canonical SMILES for (2S)-2,4-diaminobutanoic acid;hydrobromide is Br.NCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,4-diaminobutanoic acid;hydrobromide?
The InChIKey is RVCHWEZQMFNGBK-DFWYDOINSA-N. The full InChI is InChI=1S/C4H10N2O2.BrH/c5-2-1-3(6)4(7)8;/h3H,1-2,5-6H2,(H,7,8);1H/t3-;/m0./s1.
What are the key properties of (2S)-2,4-diaminobutanoic acid;hydrobromide?
(2S)-2,4-diaminobutanoic acid;hydrobromide has a molecular weight of 199.05 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-diaminobutanoic acid;hydrobromide is sourced from PubChem (CID 46735201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).