methyl (2R)-2,4-diaminobutanoate;dihydrochloride

C5H14Cl2N2O2 — CID 155920841

IUPACmethyl (2R)-2,4-diaminobutanoate;dihydrochloride
SMILESCOC(=O)[C@H](N)CCN.Cl.Cl
InChIInChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4(7)2-3-6;;/h4H,2-3,6-7H2,1H3;2*1H/t4-;;/m1../s1
InChIKeyBGFZBYKHHGUPSG-RZFWHQLPSA-N
MW205.08 g/mol
LogP-0.32
Rot. Bonds3

About methyl (2R)-2,4-diaminobutanoate;dihydrochloride

methyl (2R)-2,4-diaminobutanoate;dihydrochloride (PubChem CID 155920841) has the molecular formula C5H14Cl2N2O2 and a molecular weight of 205.08 g/mol. Its IUPAC name is methyl (2R)-2,4-diaminobutanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2,4-diaminobutanoate;dihydrochloride
PubChem CID155920841
Molecular FormulaC5H14Cl2N2O2
Molecular Weight205.08 g/mol
Exact Mass204.04
IUPAC Namemethyl (2R)-2,4-diaminobutanoate;dihydrochloride
SMILESCOC(=O)[C@H](N)CCN.Cl.Cl
InChIInChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4(7)2-3-6;;/h4H,2-3,6-7H2,1H3;2*1H/t4-;;/m1../s1
InChIKeyBGFZBYKHHGUPSG-RZFWHQLPSA-N
XLogP-0.32
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
ethane;methyl 2,5-diaminopentanoate
CID 142442335
methyl (2S)-2-amino-4-sulfanylbutanoate;hydrochloride
CID 142639928
methyl 2-aminopentanoate
CID 533890
methyl 2-amino-5-fluoropentanoate
CID 81106108
methyl (2S)-2,6-diamino-4-fluorohexanoate
CID 54085358
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methyl (2S)-2-aminohexanoate
CID 7018840
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2,4-diaminobutanoate;dihydrochloride?
The IUPAC name of methyl (2R)-2,4-diaminobutanoate;dihydrochloride (CID 155920841) is methyl (2R)-2,4-diaminobutanoate;dihydrochloride.
What is the SMILES notation for methyl (2R)-2,4-diaminobutanoate;dihydrochloride?
The canonical SMILES for methyl (2R)-2,4-diaminobutanoate;dihydrochloride is COC(=O)[C@H](N)CCN.Cl.Cl.
What is the InChIKey of methyl (2R)-2,4-diaminobutanoate;dihydrochloride?
The InChIKey is BGFZBYKHHGUPSG-RZFWHQLPSA-N. The full InChI is InChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4(7)2-3-6;;/h4H,2-3,6-7H2,1H3;2*1H/t4-;;/m1../s1.
What are the key properties of methyl (2R)-2,4-diaminobutanoate;dihydrochloride?
methyl (2R)-2,4-diaminobutanoate;dihydrochloride has a molecular weight of 205.08 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2,4-diaminobutanoate;dihydrochloride is sourced from PubChem (CID 155920841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).