2-propoxyethyl 2-amino-4-methylpentanoate

C11H23NO3 — CID 63685602

IUPAC2-propoxyethyl 2-amino-4-methylpentanoate
SMILESCCCOCCOC(=O)C(N)CC(C)C
InChIInChI=1S/C11H23NO3/c1-4-5-14-6-7-15-11(13)10(12)8-9(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyFYMPTBVARJRFNB-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds8

About 2-propoxyethyl 2-amino-4-methylpentanoate

2-propoxyethyl 2-amino-4-methylpentanoate (PubChem CID 63685602) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-propoxyethyl 2-amino-4-methylpentanoate.

Molecular Properties

Compound Name2-propoxyethyl 2-amino-4-methylpentanoate
PubChem CID63685602
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-propoxyethyl 2-amino-4-methylpentanoate
SMILESCCCOCCOC(=O)C(N)CC(C)C
InChIInChI=1S/C11H23NO3/c1-4-5-14-6-7-15-11(13)10(12)8-9(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyFYMPTBVARJRFNB-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
heptadecyl (2S)-2-amino-4-methylpentanoate
CID 54540709
dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride
CID 156902414
tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 154585621
2-propoxyethyl 2-amino-3-methylpentanoate
CID 63684873
4-methylpentyl 2-amino-4-methylpentanoate
CID 61304078
2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate
CID 156687732
4-amino-2-methyl-5-oxo-5-propoxypentanoic acid
CID 154095903
2-propoxyethyl 2-amino-3,3-dimethylbutanoate
CID 63687085
2-methylpentyl (2R)-2-amino-4-methylpentanoate
CID 103284088
[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate
CID 139407331

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-amino-4-methylpentanoate?
The IUPAC name of 2-propoxyethyl 2-amino-4-methylpentanoate (CID 63685602) is 2-propoxyethyl 2-amino-4-methylpentanoate.
What is the SMILES notation for 2-propoxyethyl 2-amino-4-methylpentanoate?
The canonical SMILES for 2-propoxyethyl 2-amino-4-methylpentanoate is CCCOCCOC(=O)C(N)CC(C)C.
What is the InChIKey of 2-propoxyethyl 2-amino-4-methylpentanoate?
The InChIKey is FYMPTBVARJRFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-5-14-6-7-15-11(13)10(12)8-9(2)3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 2-propoxyethyl 2-amino-4-methylpentanoate?
2-propoxyethyl 2-amino-4-methylpentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-amino-4-methylpentanoate is sourced from PubChem (CID 63685602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).