(2S,3S)-3-aminopentan-2-ol;hydrochloride

C5H14ClNO — CID 66552260

IUPAC(2S,3S)-3-aminopentan-2-ol;hydrochloride
SMILESCC[C@H](N)[C@H](C)O.Cl
InChIInChI=1S/C5H13NO.ClH/c1-3-5(6)4(2)7;/h4-5,7H,3,6H2,1-2H3;1H/t4-,5-;/m0./s1
InChIKeyKAJAIXQRKSAXTM-FHAQVOQBSA-N
MW139.63 g/mol
LogP0.53
Rot. Bonds2

About (2S,3S)-3-aminopentan-2-ol;hydrochloride

(2S,3S)-3-aminopentan-2-ol;hydrochloride (PubChem CID 66552260) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is (2S,3S)-3-aminopentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-aminopentan-2-ol;hydrochloride
PubChem CID66552260
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC Name(2S,3S)-3-aminopentan-2-ol;hydrochloride
SMILESCC[C@H](N)[C@H](C)O.Cl
InChIInChI=1S/C5H13NO.ClH/c1-3-5(6)4(2)7;/h4-5,7H,3,6H2,1-2H3;1H/t4-,5-;/m0./s1
InChIKeyKAJAIXQRKSAXTM-FHAQVOQBSA-N
XLogP0.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.63
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-aminopentan-2-ol;hydrochloride?
The IUPAC name of (2S,3S)-3-aminopentan-2-ol;hydrochloride (CID 66552260) is (2S,3S)-3-aminopentan-2-ol;hydrochloride.
What is the SMILES notation for (2S,3S)-3-aminopentan-2-ol;hydrochloride?
The canonical SMILES for (2S,3S)-3-aminopentan-2-ol;hydrochloride is CC[C@H](N)[C@H](C)O.Cl.
What is the InChIKey of (2S,3S)-3-aminopentan-2-ol;hydrochloride?
The InChIKey is KAJAIXQRKSAXTM-FHAQVOQBSA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-3-5(6)4(2)7;/h4-5,7H,3,6H2,1-2H3;1H/t4-,5-;/m0./s1.
What are the key properties of (2S,3S)-3-aminopentan-2-ol;hydrochloride?
(2S,3S)-3-aminopentan-2-ol;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-aminopentan-2-ol;hydrochloride is sourced from PubChem (CID 66552260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).