propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride

C7H16ClNO3 — CID 122539225

IUPACpropan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
SMILESCC(C)OC(=O)[C@H](N)[C@@H](C)O.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-4(2)11-7(10)6(8)5(3)9;/h4-6,9H,8H2,1-3H3;1H/t5-,6-;/m1./s1
InChIKeyWTNKLHOYNYGZOQ-KGZKBUQUSA-N
MW197.66 g/mol
LogP0.07
Rot. Bonds3

About propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride

propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride (PubChem CID 122539225) has the molecular formula C7H16ClNO3 and a molecular weight of 197.66 g/mol. Its IUPAC name is propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
PubChem CID122539225
Molecular FormulaC7H16ClNO3
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Namepropan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
SMILESCC(C)OC(=O)[C@H](N)[C@@H](C)O.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-4(2)11-7(10)6(8)5(3)9;/h4-6,9H,8H2,1-3H3;1H/t5-,6-;/m1./s1
InChIKeyWTNKLHOYNYGZOQ-KGZKBUQUSA-N
XLogP0.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid
CID 87892301
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl 2-aminopropanoate
CID 11804791
phosphanyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 174381323
propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate
CID 129391094
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
dipropan-2-yl 2-(3-hydroxybutan-2-yl)propanedioate
CID 113360243
(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid
CID 87087959
propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate
CID 11644004
propan-2-yl (2S)-2-hydroxy-3-methylbutanoate
CID 87171690

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride?
The IUPAC name of propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride (CID 122539225) is propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride.
What is the SMILES notation for propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride?
The canonical SMILES for propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride is CC(C)OC(=O)[C@H](N)[C@@H](C)O.Cl.
What is the InChIKey of propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride?
The InChIKey is WTNKLHOYNYGZOQ-KGZKBUQUSA-N. The full InChI is InChI=1S/C7H15NO3.ClH/c1-4(2)11-7(10)6(8)5(3)9;/h4-6,9H,8H2,1-3H3;1H/t5-,6-;/m1./s1.
What are the key properties of propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride?
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride is sourced from PubChem (CID 122539225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).