propan-2-yl (2S)-2-aminopropanoate;hydrochloride

C6H14ClNO2 — CID 13089459

IUPACpropan-2-yl (2S)-2-aminopropanoate;hydrochloride
SMILESCC(C)OC(=O)[C@H](C)N.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
InChIKeyYAQKNCSWDMGPOY-JEDNCBNOSA-N
MW167.64 g/mol
LogP0.71
Rot. Bonds2

About propan-2-yl (2S)-2-aminopropanoate;hydrochloride

propan-2-yl (2S)-2-aminopropanoate;hydrochloride (PubChem CID 13089459) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is propan-2-yl (2S)-2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-aminopropanoate;hydrochloride
PubChem CID13089459
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Namepropan-2-yl (2S)-2-aminopropanoate;hydrochloride
SMILESCC(C)OC(=O)[C@H](C)N.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
InChIKeyYAQKNCSWDMGPOY-JEDNCBNOSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 propan-2-yl (2S)-2-aminopropanoate;hydrochloride?
The IUPAC name of propan-2-yl (2S)-2-aminopropanoate;hydrochloride (CID 13089459) is propan-2-yl (2S)-2-aminopropanoate;hydrochloride.
What is the SMILES notation for propan-2-yl (2S)-2-aminopropanoate;hydrochloride?
The canonical SMILES for propan-2-yl (2S)-2-aminopropanoate;hydrochloride is CC(C)OC(=O)[C@H](C)N.Cl.
What is the InChIKey of propan-2-yl (2S)-2-aminopropanoate;hydrochloride?
The InChIKey is YAQKNCSWDMGPOY-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1.
What are the key properties of propan-2-yl (2S)-2-aminopropanoate;hydrochloride?
propan-2-yl (2S)-2-aminopropanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-aminopropanoate;hydrochloride is sourced from PubChem (CID 13089459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).