tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride

C8H18ClNO2 — CID 11298515

IUPACtert-butyl (2S)-2-(methylamino)propanoate;hydrochloride
SMILESCN[C@@H](C)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(9-5)7(10)11-8(2,3)4;/h6,9H,1-5H3;1H/t6-;/m0./s1
InChIKeyPFFJYAVJRFRTKL-RGMNGODLSA-N
MW195.69 g/mol
LogP1.36
Rot. Bonds2

About tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride

tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride (PubChem CID 11298515) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2S)-2-(methylamino)propanoate;hydrochloride
PubChem CID11298515
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Nametert-butyl (2S)-2-(methylamino)propanoate;hydrochloride
SMILESCN[C@@H](C)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(9-5)7(10)11-8(2,3)4;/h6,9H,1-5H3;1H/t6-;/m0./s1
InChIKeyPFFJYAVJRFRTKL-RGMNGODLSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride?
The IUPAC name of tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride (CID 11298515) is tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride?
The canonical SMILES for tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride is CN[C@@H](C)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride?
The InChIKey is PFFJYAVJRFRTKL-RGMNGODLSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-6(9-5)7(10)11-8(2,3)4;/h6,9H,1-5H3;1H/t6-;/m0./s1.
What are the key properties of tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride?
tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride is sourced from PubChem (CID 11298515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).