ethyl 2-amino-3-hydroxy-2-methylbutanoate

C7H15NO3 — CID 21198334

IUPACethyl 2-amino-3-hydroxy-2-methylbutanoate
SMILESCCOC(=O)C(C)(N)C(C)O
InChIInChI=1S/C7H15NO3/c1-4-11-6(10)7(3,8)5(2)9/h5,9H,4,8H2,1-3H3
InChIKeyJYAJUXCKALYJAK-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.35
Rot. Bonds3

About ethyl 2-amino-3-hydroxy-2-methylbutanoate

ethyl 2-amino-3-hydroxy-2-methylbutanoate (PubChem CID 21198334) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is ethyl 2-amino-3-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-hydroxy-2-methylbutanoate
PubChem CID21198334
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameethyl 2-amino-3-hydroxy-2-methylbutanoate
SMILESCCOC(=O)C(C)(N)C(C)O
InChIInChI=1S/C7H15NO3/c1-4-11-6(10)7(3,8)5(2)9/h5,9H,4,8H2,1-3H3
InChIKeyJYAJUXCKALYJAK-UHFFFAOYSA-N
XLogP-0.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-hydroxy-2-methylbutanoate?
The IUPAC name of ethyl 2-amino-3-hydroxy-2-methylbutanoate (CID 21198334) is ethyl 2-amino-3-hydroxy-2-methylbutanoate.
What is the SMILES notation for ethyl 2-amino-3-hydroxy-2-methylbutanoate?
The canonical SMILES for ethyl 2-amino-3-hydroxy-2-methylbutanoate is CCOC(=O)C(C)(N)C(C)O.
What is the InChIKey of ethyl 2-amino-3-hydroxy-2-methylbutanoate?
The InChIKey is JYAJUXCKALYJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-11-6(10)7(3,8)5(2)9/h5,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-amino-3-hydroxy-2-methylbutanoate?
ethyl 2-amino-3-hydroxy-2-methylbutanoate has a molecular weight of 161.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-hydroxy-2-methylbutanoate is sourced from PubChem (CID 21198334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).