methyl (3R)-3-(methylamino)butanoate;hydrochloride

C6H14ClNO2 — CID 134280565

IUPACmethyl (3R)-3-(methylamino)butanoate;hydrochloride
SMILESCN[C@H](C)CC(=O)OC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5(7-2)4-6(8)9-3;/h5,7H,4H2,1-3H3;1H/t5-;/m1./s1
InChIKeyJYOUNXRFAXSOBD-NUBCRITNSA-N
MW167.64 g/mol
LogP0.58
Rot. Bonds3

About methyl (3R)-3-(methylamino)butanoate;hydrochloride

methyl (3R)-3-(methylamino)butanoate;hydrochloride (PubChem CID 134280565) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is methyl (3R)-3-(methylamino)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-(methylamino)butanoate;hydrochloride
PubChem CID134280565
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Namemethyl (3R)-3-(methylamino)butanoate;hydrochloride
SMILESCN[C@H](C)CC(=O)OC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5(7-2)4-6(8)9-3;/h5,7H,4H2,1-3H3;1H/t5-;/m1./s1
InChIKeyJYOUNXRFAXSOBD-NUBCRITNSA-N
XLogP0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(methylamino)butanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-(methylamino)butanoate;hydrochloride (CID 134280565) is methyl (3R)-3-(methylamino)butanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-(methylamino)butanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-(methylamino)butanoate;hydrochloride is CN[C@H](C)CC(=O)OC.Cl.
What is the InChIKey of methyl (3R)-3-(methylamino)butanoate;hydrochloride?
The InChIKey is JYOUNXRFAXSOBD-NUBCRITNSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-5(7-2)4-6(8)9-3;/h5,7H,4H2,1-3H3;1H/t5-;/m1./s1.
What are the key properties of methyl (3R)-3-(methylamino)butanoate;hydrochloride?
methyl (3R)-3-(methylamino)butanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(methylamino)butanoate;hydrochloride is sourced from PubChem (CID 134280565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).