methyl (2S)-2-aminopentanoate;hydrochloride

C6H14ClNO2 — CID 14118488

IUPACmethyl (2S)-2-aminopentanoate;hydrochloride
SMILESCCC[C@H](N)C(=O)OC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-4-5(7)6(8)9-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1
InChIKeyIODNYRVZHKRFIW-JEDNCBNOSA-N
MW167.64 g/mol
LogP0.71
Rot. Bonds3

About methyl (2S)-2-aminopentanoate;hydrochloride

methyl (2S)-2-aminopentanoate;hydrochloride (PubChem CID 14118488) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is methyl (2S)-2-aminopentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-aminopentanoate;hydrochloride
PubChem CID14118488
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Namemethyl (2S)-2-aminopentanoate;hydrochloride
SMILESCCC[C@H](N)C(=O)OC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-4-5(7)6(8)9-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1
InChIKeyIODNYRVZHKRFIW-JEDNCBNOSA-N
XLogP0.71
TPSA52.32 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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-aminopentanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-aminopentanoate;hydrochloride (CID 14118488) is methyl (2S)-2-aminopentanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-aminopentanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-aminopentanoate;hydrochloride is CCC[C@H](N)C(=O)OC.Cl.
What is the InChIKey of methyl (2S)-2-aminopentanoate;hydrochloride?
The InChIKey is IODNYRVZHKRFIW-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-3-4-5(7)6(8)9-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1.
What are the key properties of methyl (2S)-2-aminopentanoate;hydrochloride?
methyl (2S)-2-aminopentanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-aminopentanoate;hydrochloride is sourced from PubChem (CID 14118488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).