ethyl 2-amino-2-methylbutanoate;hydrochloride

C7H16ClNO2 — CID 175342051

IUPACethyl 2-amino-2-methylbutanoate;hydrochloride
SMILESCCOC(=O)C(C)(N)CC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-7(3,8)6(9)10-5-2;/h4-5,8H2,1-3H3;1H
InChIKeyOOPRLZZDAMSJGL-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.10
Rot. Bonds3

About ethyl 2-amino-2-methylbutanoate;hydrochloride

ethyl 2-amino-2-methylbutanoate;hydrochloride (PubChem CID 175342051) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is ethyl 2-amino-2-methylbutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-methylbutanoate;hydrochloride
PubChem CID175342051
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nameethyl 2-amino-2-methylbutanoate;hydrochloride
SMILESCCOC(=O)C(C)(N)CC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-7(3,8)6(9)10-5-2;/h4-5,8H2,1-3H3;1H
InChIKeyOOPRLZZDAMSJGL-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477
propyl (2S)-2-amino-2-methylbutanoate
CID 92977098
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
tert-butyl 2-amino-2-methylbutanoate
CID 57065148
hexyl (2S)-2-amino-2-methylbutanoate;hydrochloride
CID 162724688
ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
CID 11817243
ethyl (2S)-2-amino-5,5-dichloro-2-methylpentanoate;hydrochloride
CID 167527614
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylbutanoate
CID 112588233
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate
CID 64712073
3-methylbutyl 2-amino-2-methylbutanoate
CID 79798258

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methylbutanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-2-methylbutanoate;hydrochloride (CID 175342051) is ethyl 2-amino-2-methylbutanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-methylbutanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-methylbutanoate;hydrochloride is CCOC(=O)C(C)(N)CC.Cl.
What is the InChIKey of ethyl 2-amino-2-methylbutanoate;hydrochloride?
The InChIKey is OOPRLZZDAMSJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-4-7(3,8)6(9)10-5-2;/h4-5,8H2,1-3H3;1H.
What are the key properties of ethyl 2-amino-2-methylbutanoate;hydrochloride?
ethyl 2-amino-2-methylbutanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methylbutanoate;hydrochloride is sourced from PubChem (CID 175342051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).