methyl 2-amino-4,4-dimethylpentanoate

C8H17NO2 — CID 23000049

IUPACmethyl 2-amino-4,4-dimethylpentanoate
SMILESCOC(=O)C(N)CC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-8(2,3)5-6(9)7(10)11-4/h6H,5,9H2,1-4H3
InChIKeyAHLUWXPHJXOHIQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds2

About methyl 2-amino-4,4-dimethylpentanoate

methyl 2-amino-4,4-dimethylpentanoate (PubChem CID 23000049) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl 2-amino-4,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4,4-dimethylpentanoate
PubChem CID23000049
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl 2-amino-4,4-dimethylpentanoate
SMILESCOC(=O)C(N)CC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-8(2,3)5-6(9)7(10)11-4/h6H,5,9H2,1-4H3
InChIKeyAHLUWXPHJXOHIQ-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 methyl ester
CID 65105
L-Leucine ethyl ester
CID 75971
Leucine methyl ester hydrochloride
CID 2723695
L-Isoleucine, methyl ester
CID 75735
Methyl DL-leucinate hydrochloride
CID 410817
Isoleucine methyl ester hydrochloride
CID 11171351
Methyl 2-amino-3-methylpentanoate
CID 437686
L-Isoleucine, ethyl ester
CID 6602175
Methyl 2-amino-4-methylpentanoate hydrochloride
CID 3084016
Ethyl L-leucinate hydrochloride
CID 158178
Methyl 2-aminopentanoate
CID 533890
tert-butyl (2S)-2-amino-4-methylpentanoate
CID 7022311

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4,4-dimethylpentanoate?
The IUPAC name of methyl 2-amino-4,4-dimethylpentanoate (CID 23000049) is methyl 2-amino-4,4-dimethylpentanoate.
What is the SMILES notation for methyl 2-amino-4,4-dimethylpentanoate?
The canonical SMILES for methyl 2-amino-4,4-dimethylpentanoate is COC(=O)C(N)CC(C)(C)C.
What is the InChIKey of methyl 2-amino-4,4-dimethylpentanoate?
The InChIKey is AHLUWXPHJXOHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)5-6(9)7(10)11-4/h6H,5,9H2,1-4H3.
What are the key properties of methyl 2-amino-4,4-dimethylpentanoate?
methyl 2-amino-4,4-dimethylpentanoate has a molecular weight of 159.23 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4,4-dimethylpentanoate is sourced from PubChem (CID 23000049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).