methyl 2-amino-2-ethylpentanoate

C8H17NO2 — CID 88885307

IUPACmethyl 2-amino-2-ethylpentanoate
SMILESCCCC(N)(CC)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-4-6-8(9,5-2)7(10)11-3/h4-6,9H2,1-3H3
InChIKeyUYDCEFOEXGXTQG-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds4

About methyl 2-amino-2-ethylpentanoate

methyl 2-amino-2-ethylpentanoate (PubChem CID 88885307) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl 2-amino-2-ethylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-ethylpentanoate
PubChem CID88885307
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl 2-amino-2-ethylpentanoate
SMILESCCCC(N)(CC)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-4-6-8(9,5-2)7(10)11-3/h4-6,9H2,1-3H3
InChIKeyUYDCEFOEXGXTQG-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
methyl 2-amino-2-fluorobutanoate;hydrochloride
CID 142778169
1-O-(fluoromethyl) 3-O-methyl 2-amino-2-propylpropanedioate
CID 174653453
3-amino-3-ethyl-2-methylidenehexanoic acid
CID 174850804
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
methyl 2-amino-2,2-dihydroxyacetate
CID 123538749
methyl 2-amino-2-hydroxytetradecanoate
CID 174591192
methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868075
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
azane;methyl 2-amino-2-hydroxytetradecanoate
CID 174591191
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(ethylamino)-2-propylpentanoate
CID 60787868

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-ethylpentanoate?
The IUPAC name of methyl 2-amino-2-ethylpentanoate (CID 88885307) is methyl 2-amino-2-ethylpentanoate.
What is the SMILES notation for methyl 2-amino-2-ethylpentanoate?
The canonical SMILES for methyl 2-amino-2-ethylpentanoate is CCCC(N)(CC)C(=O)OC.
What is the InChIKey of methyl 2-amino-2-ethylpentanoate?
The InChIKey is UYDCEFOEXGXTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6-8(9,5-2)7(10)11-3/h4-6,9H2,1-3H3.
What are the key properties of methyl 2-amino-2-ethylpentanoate?
methyl 2-amino-2-ethylpentanoate has a molecular weight of 159.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-ethylpentanoate is sourced from PubChem (CID 88885307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).