tert-butyl (2S)-2-aminopentanoate;hydrochloride

C9H20ClNO2 — CID 44593843

IUPACtert-butyl (2S)-2-aminopentanoate;hydrochloride
SMILESCCC[C@H](N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-5-6-7(10)8(11)12-9(2,3)4;/h7H,5-6,10H2,1-4H3;1H/t7-;/m0./s1
InChIKeyYQHANSSYWITJHA-FJXQXJEOSA-N
MW209.72 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl (2S)-2-aminopentanoate;hydrochloride

tert-butyl (2S)-2-aminopentanoate;hydrochloride (PubChem CID 44593843) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is tert-butyl (2S)-2-aminopentanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2S)-2-aminopentanoate;hydrochloride
PubChem CID44593843
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Nametert-butyl (2S)-2-aminopentanoate;hydrochloride
SMILESCCC[C@H](N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-5-6-7(10)8(11)12-9(2,3)4;/h7H,5-6,10H2,1-4H3;1H/t7-;/m0./s1
InChIKeyYQHANSSYWITJHA-FJXQXJEOSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.88
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-aminopentanoate;hydrochloride?
The IUPAC name of tert-butyl (2S)-2-aminopentanoate;hydrochloride (CID 44593843) is tert-butyl (2S)-2-aminopentanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2S)-2-aminopentanoate;hydrochloride?
The canonical SMILES for tert-butyl (2S)-2-aminopentanoate;hydrochloride is CCC[C@H](N)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl (2S)-2-aminopentanoate;hydrochloride?
The InChIKey is YQHANSSYWITJHA-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-5-6-7(10)8(11)12-9(2,3)4;/h7H,5-6,10H2,1-4H3;1H/t7-;/m0./s1.
What are the key properties of tert-butyl (2S)-2-aminopentanoate;hydrochloride?
tert-butyl (2S)-2-aminopentanoate;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-aminopentanoate;hydrochloride is sourced from PubChem (CID 44593843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).