ethyl 3-amino-4-methylpentanoate

C8H17NO2 — CID 12859677

IUPACethyl 3-amino-4-methylpentanoate
SMILESCCOC(=O)CC(N)C(C)C
InChIInChI=1S/C8H17NO2/c1-4-11-8(10)5-7(9)6(2)3/h6-7H,4-5,9H2,1-3H3
InChIKeyUEXXWHOBPJEQJJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds4

About ethyl 3-amino-4-methylpentanoate

ethyl 3-amino-4-methylpentanoate (PubChem CID 12859677) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl 3-amino-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 3-amino-4-methylpentanoate
PubChem CID12859677
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl 3-amino-4-methylpentanoate
SMILESCCOC(=O)CC(N)C(C)C
InChIInChI=1S/C8H17NO2/c1-4-11-8(10)5-7(9)6(2)3/h6-7H,4-5,9H2,1-3H3
InChIKeyUEXXWHOBPJEQJJ-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

L-Leucine ethyl ester
CID 75971
(3S)-3-azaniumyl-4-methylpentanoate
CID 6934189
Ethyl L-leucinate hydrochloride
CID 158178
(3R)-3-azaniumyl-4-methylpentanoate
CID 6934188
Ethyl DL-leucinate hydrochloride
CID 2769341
ethyl (2R)-2-amino-4-methylpentanoate hydrochloride
CID 11600850
L-Leucine, ethyl ester, hydrochloride (1:1)
CID 11658447
Ethyl 3-amino-4-methylpentanoate hydrochloride
CID 18321650
Ethyl 3-amino-5-methylhexanoate hydrochloride
CID 18321690
methyl (3R)-3-amino-4,4-dimethylpentanoate hydrochloride
CID 53487384
Methyl 2-(aminomethyl)-4-methylpentanoate hydrochloride
CID 54595216
Methyl 3-amino-4-methylpentanoate hydrochloride
CID 71307026

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-methylpentanoate?
The IUPAC name of ethyl 3-amino-4-methylpentanoate (CID 12859677) is ethyl 3-amino-4-methylpentanoate.
What is the SMILES notation for ethyl 3-amino-4-methylpentanoate?
The canonical SMILES for ethyl 3-amino-4-methylpentanoate is CCOC(=O)CC(N)C(C)C.
What is the InChIKey of ethyl 3-amino-4-methylpentanoate?
The InChIKey is UEXXWHOBPJEQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-11-8(10)5-7(9)6(2)3/h6-7H,4-5,9H2,1-3H3.
What are the key properties of ethyl 3-amino-4-methylpentanoate?
ethyl 3-amino-4-methylpentanoate has a molecular weight of 159.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-methylpentanoate is sourced from PubChem (CID 12859677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).