methyl (3S)-3-aminobutanoate;hydrochloride

C5H12ClNO2 — CID 53487346

IUPACmethyl (3S)-3-aminobutanoate;hydrochloride
SMILESCOC(=O)C[C@H](C)N.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(6)3-5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1
InChIKeyYNRQJTGGWNTZLJ-WCCKRBBISA-N
MW153.61 g/mol
LogP0.32
Rot. Bonds2

About methyl (3S)-3-aminobutanoate;hydrochloride

methyl (3S)-3-aminobutanoate;hydrochloride (PubChem CID 53487346) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is methyl (3S)-3-aminobutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S)-3-aminobutanoate;hydrochloride
PubChem CID53487346
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namemethyl (3S)-3-aminobutanoate;hydrochloride
SMILESCOC(=O)C[C@H](C)N.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(6)3-5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1
InChIKeyYNRQJTGGWNTZLJ-WCCKRBBISA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
methyl 3-amino-3-hydroxypropanoate;hydrochloride
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methyl 3-amino-3-chloropropanoate;hydrochloride
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azane;methyl 3-methylbutanoate;hydrochloride
CID 175434492
methyl 2-(3-aminobutanoylamino)acetate
CID 60914832
dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402
(3S)-3-amino-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 138040133
methyl 3,4-dimethylpentanoate
CID 554058
dimethyl 3,7-diamino-5-oxononanedioate
CID 57305042
2-methylpropanoyl 3-aminobutanoate
CID 174497316
propyl 3-aminobutanoate
CID 43247954

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-aminobutanoate;hydrochloride?
The IUPAC name of methyl (3S)-3-aminobutanoate;hydrochloride (CID 53487346) is methyl (3S)-3-aminobutanoate;hydrochloride.
What is the SMILES notation for methyl (3S)-3-aminobutanoate;hydrochloride?
The canonical SMILES for methyl (3S)-3-aminobutanoate;hydrochloride is COC(=O)C[C@H](C)N.Cl.
What is the InChIKey of methyl (3S)-3-aminobutanoate;hydrochloride?
The InChIKey is YNRQJTGGWNTZLJ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-4(6)3-5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1.
What are the key properties of methyl (3S)-3-aminobutanoate;hydrochloride?
methyl (3S)-3-aminobutanoate;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-aminobutanoate;hydrochloride is sourced from PubChem (CID 53487346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).