methyl 2-amino-3-hydroxy-2-methylbutanoate

C6H13NO3 — CID 535846

IUPACmethyl 2-amino-3-hydroxy-2-methylbutanoate
SMILESCOC(=O)C(C)(N)C(C)O
InChIInChI=1S/C6H13NO3/c1-4(8)6(2,7)5(9)10-3/h4,8H,7H2,1-3H3
InChIKeySCUVJGLPQLNOID-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.74
Rot. Bonds2

About methyl 2-amino-3-hydroxy-2-methylbutanoate

methyl 2-amino-3-hydroxy-2-methylbutanoate (PubChem CID 535846) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl 2-amino-3-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-hydroxy-2-methylbutanoate
PubChem CID535846
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl 2-amino-3-hydroxy-2-methylbutanoate
SMILESCOC(=O)C(C)(N)C(C)O
InChIInChI=1S/C6H13NO3/c1-4(8)6(2,7)5(9)10-3/h4,8H,7H2,1-3H3
InChIKeySCUVJGLPQLNOID-UHFFFAOYSA-N
XLogP-0.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-hydroxy-2-methylbutanoate?
The IUPAC name of methyl 2-amino-3-hydroxy-2-methylbutanoate (CID 535846) is methyl 2-amino-3-hydroxy-2-methylbutanoate.
What is the SMILES notation for methyl 2-amino-3-hydroxy-2-methylbutanoate?
The canonical SMILES for methyl 2-amino-3-hydroxy-2-methylbutanoate is COC(=O)C(C)(N)C(C)O.
What is the InChIKey of methyl 2-amino-3-hydroxy-2-methylbutanoate?
The InChIKey is SCUVJGLPQLNOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(8)6(2,7)5(9)10-3/h4,8H,7H2,1-3H3.
What are the key properties of methyl 2-amino-3-hydroxy-2-methylbutanoate?
methyl 2-amino-3-hydroxy-2-methylbutanoate has a molecular weight of 147.17 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-hydroxy-2-methylbutanoate is sourced from PubChem (CID 535846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).