ethyl 2-amino-3-methylbutanoate

C7H15NO2 — CID 519419

IUPACethyl 2-amino-3-methylbutanoate
SMILESCCOC(=O)C(N)C(C)C
InChIInChI=1S/C7H15NO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4,8H2,1-3H3
InChIKeyBQIVJVAZDJHDJF-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.53
Rot. Bonds3

About ethyl 2-amino-3-methylbutanoate

ethyl 2-amino-3-methylbutanoate (PubChem CID 519419) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethyl 2-amino-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-methylbutanoate
PubChem CID519419
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethyl 2-amino-3-methylbutanoate
SMILESCCOC(=O)C(N)C(C)C
InChIInChI=1S/C7H15NO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4,8H2,1-3H3
InChIKeyBQIVJVAZDJHDJF-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminoisovaleric acid
CID 6971018
(+)-L-Leucine methyl ester
CID 65105
L-Leucine ethyl ester
CID 75971
Alanine, ethyl ester, hydrochloride (1:1)
CID 102560
L-Isoleucine, methyl ester
CID 75735
Valine methyl ester
CID 94285
CID 88733505
CID 88733505
Methyl valinate hydrochloride
CID 111190
Methyl DL-leucinate hydrochloride
CID 410817
Valine, methyl ester, hydrochloride (1:1)
CID 12498813
Methyl 2-amino-3-methylpentanoate
CID 437686
Ethyl L-leucinate hydrochloride
CID 158178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-methylbutanoate?
The IUPAC name of ethyl 2-amino-3-methylbutanoate (CID 519419) is ethyl 2-amino-3-methylbutanoate.
What is the SMILES notation for ethyl 2-amino-3-methylbutanoate?
The canonical SMILES for ethyl 2-amino-3-methylbutanoate is CCOC(=O)C(N)C(C)C.
What is the InChIKey of ethyl 2-amino-3-methylbutanoate?
The InChIKey is BQIVJVAZDJHDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4,8H2,1-3H3.
What are the key properties of ethyl 2-amino-3-methylbutanoate?
ethyl 2-amino-3-methylbutanoate has a molecular weight of 145.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-methylbutanoate is sourced from PubChem (CID 519419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).