ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride

C6H14ClNO3 — CID 75480824

IUPACethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(O)CN.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-3-10-5(8)6(2,9)4-7;/h9H,3-4,7H2,1-2H3;1H
InChIKeyPWCQBCWIVNITTF-UHFFFAOYSA-N
MW183.63 g/mol
LogP-0.32
Rot. Bonds3

About ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride

ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride (PubChem CID 75480824) has the molecular formula C6H14ClNO3 and a molecular weight of 183.63 g/mol. Its IUPAC name is ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride
PubChem CID75480824
Molecular FormulaC6H14ClNO3
Molecular Weight183.63 g/mol
Exact Mass183.07
IUPAC Nameethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(O)CN.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-3-10-5(8)6(2,9)4-7;/h9H,3-4,7H2,1-2H3;1H
InChIKeyPWCQBCWIVNITTF-UHFFFAOYSA-N
XLogP-0.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride?
The IUPAC name of ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride (CID 75480824) is ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride?
The canonical SMILES for ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride is CCOC(=O)C(C)(O)CN.Cl.
What is the InChIKey of ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride?
The InChIKey is PWCQBCWIVNITTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.ClH/c1-3-10-5(8)6(2,9)4-7;/h9H,3-4,7H2,1-2H3;1H.
What are the key properties of ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride?
ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-hydroxy-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 75480824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).