bis(methyl (2S)-2-aminobutanoate);dihydrochloride

C10H24Cl2N2O4 — CID 174939060

IUPACbis(methyl (2S)-2-aminobutanoate);dihydrochloride
SMILESCC[C@H](N)C(=O)OC.CC[C@H](N)C(=O)OC.Cl.Cl
InChIInChI=1S/2C5H11NO2.2ClH/c2*1-3-4(6)5(7)8-2;;/h2*4H,3,6H2,1-2H3;2*1H/t2*4-;;/m00../s1
InChIKeyGOKNPRFBEDMZBL-UCQVOLLVSA-N
MW307.22 g/mol
LogP0.64
Rot. Bonds4

About bis(methyl (2S)-2-aminobutanoate);dihydrochloride

bis(methyl (2S)-2-aminobutanoate);dihydrochloride (PubChem CID 174939060) has the molecular formula C10H24Cl2N2O4 and a molecular weight of 307.22 g/mol. Its IUPAC name is bis(methyl (2S)-2-aminobutanoate);dihydrochloride.

Molecular Properties

Compound Namebis(methyl (2S)-2-aminobutanoate);dihydrochloride
PubChem CID174939060
Molecular FormulaC10H24Cl2N2O4
Molecular Weight307.22 g/mol
Exact Mass306.11
IUPAC Namebis(methyl (2S)-2-aminobutanoate);dihydrochloride
SMILESCC[C@H](N)C(=O)OC.CC[C@H](N)C(=O)OC.Cl.Cl
InChIInChI=1S/2C5H11NO2.2ClH/c2*1-3-4(6)5(7)8-2;;/h2*4H,3,6H2,1-2H3;2*1H/t2*4-;;/m00../s1
InChIKeyGOKNPRFBEDMZBL-UCQVOLLVSA-N
XLogP0.64
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
methyl (2S)-2-amino-3-chloropropanoate;hydrochloride
CID 13050342
methyl 2-aminopentanoate
CID 533890
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
methyl (2R)-2-amino-3-ethylpentanoate;hydrochloride
CID 87789576
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride
CID 2763147
(3R)-3-aminopentan-2-one;(3R)-3-amino-4-sulfanylbutan-2-one;methyl (2S)-2-amino-3-sulfanylpropanoate
CID 160601879
methyl 2-amino-3-selanylpropanoate
CID 174947260
methyl (2R)-2-amino-3-[[(2R)-2-amino-3-methoxy-3-oxopropyl]ditellanyl]propanoate
CID 10813791
methyl (2S)-2-aminohexanoate
CID 7018840

Frequently Asked Questions

What is the IUPAC name of bis(methyl (2S)-2-aminobutanoate);dihydrochloride?
The IUPAC name of bis(methyl (2S)-2-aminobutanoate);dihydrochloride (CID 174939060) is bis(methyl (2S)-2-aminobutanoate);dihydrochloride.
What is the SMILES notation for bis(methyl (2S)-2-aminobutanoate);dihydrochloride?
The canonical SMILES for bis(methyl (2S)-2-aminobutanoate);dihydrochloride is CC[C@H](N)C(=O)OC.CC[C@H](N)C(=O)OC.Cl.Cl.
What is the InChIKey of bis(methyl (2S)-2-aminobutanoate);dihydrochloride?
The InChIKey is GOKNPRFBEDMZBL-UCQVOLLVSA-N. The full InChI is InChI=1S/2C5H11NO2.2ClH/c2*1-3-4(6)5(7)8-2;;/h2*4H,3,6H2,1-2H3;2*1H/t2*4-;;/m00../s1.
What are the key properties of bis(methyl (2S)-2-aminobutanoate);dihydrochloride?
bis(methyl (2S)-2-aminobutanoate);dihydrochloride has a molecular weight of 307.22 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyl (2S)-2-aminobutanoate);dihydrochloride is sourced from PubChem (CID 174939060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).