tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride

C8H18ClNO3 — CID 53434822

IUPACtert-butyl 2-amino-3-hydroxybutanoate;hydrochloride
SMILESCC(O)C(N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C8H17NO3.ClH/c1-5(10)6(9)7(11)12-8(2,3)4;/h5-6,10H,9H2,1-4H3;1H
InChIKeyOWBFRQWDQDYNNF-UHFFFAOYSA-N
MW211.69 g/mol
LogP0.46
Rot. Bonds2

About tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride

tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride (PubChem CID 53434822) has the molecular formula C8H18ClNO3 and a molecular weight of 211.69 g/mol. Its IUPAC name is tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-amino-3-hydroxybutanoate;hydrochloride
PubChem CID53434822
Molecular FormulaC8H18ClNO3
Molecular Weight211.69 g/mol
Exact Mass211.10
IUPAC Nametert-butyl 2-amino-3-hydroxybutanoate;hydrochloride
SMILESCC(O)C(N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C8H17NO3.ClH/c1-5(10)6(9)7(11)12-8(2,3)4;/h5-6,10H,9H2,1-4H3;1H
InChIKeyOWBFRQWDQDYNNF-UHFFFAOYSA-N
XLogP0.46
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride?
The IUPAC name of tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride (CID 53434822) is tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride.
What is the SMILES notation for tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride?
The canonical SMILES for tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride is CC(O)C(N)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride?
The InChIKey is OWBFRQWDQDYNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.ClH/c1-5(10)6(9)7(11)12-8(2,3)4;/h5-6,10H,9H2,1-4H3;1H.
What are the key properties of tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride?
tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride has a molecular weight of 211.69 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-hydroxybutanoate;hydrochloride is sourced from PubChem (CID 53434822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).