2-(2-methylpropoxy)ethyl 3-aminopentanoate

C11H23NO3 — CID 106448091

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

About 2-(2-methylpropoxy)ethyl 3-aminopentanoate

2-(2-methylpropoxy)ethyl 3-aminopentanoate (PubChem CID 106448091) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 3-aminopentanoate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 3-aminopentanoate
PubChem CID106448091
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-(2-methylpropoxy)ethyl 3-aminopentanoate
SMILESCCC(N)CC(=O)OCCOCC(C)C
InChIInChI=1S/C11H23NO3/c1-4-10(12)7-11(13)15-6-5-14-8-9(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyHYWFRXNZXIAJRN-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

Ethyl 3-amino-4-methylpentanoate hydrochloride
CID 18321650
Ethyl 3-amino-4-methylpentanoate
CID 12859677
Tert-butyl 3-aminopentanoate
CID 115563178
(S)-3-Amino-4-methylpentanoic acid ethyl ester
CID 10844683
(R)-3-Aminovaleric acid ethyl ester
CID 11321019
Butyl 3-amino-4-fluoro-4-methylpentanoate
CID 54207871
ethyl (2S,3S)-3-amino-2-ethylbutanoate
CID 102230163
(1-Methoxy-4-methyl-1-oxopentan-3-yl)azanium
CID 135066036
ethyl (3R)-3-amino-4,4-dimethylpentanoate
CID 118989134
Ethyl (3S)-3-aminopentanoate
CID 11275081
Ethyl (3R)-3-aminopentanoate
CID 11788640
Ethyl 3-amino-4,4-dimethylpentanoate
CID 18321694

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 3-aminopentanoate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 3-aminopentanoate (CID 106448091) is 2-(2-methylpropoxy)ethyl 3-aminopentanoate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 3-aminopentanoate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 3-aminopentanoate is CCC(N)CC(=O)OCCOCC(C)C.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 3-aminopentanoate?
The InChIKey is HYWFRXNZXIAJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-10(12)7-11(13)15-6-5-14-8-9(2)3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 3-aminopentanoate?
2-(2-methylpropoxy)ethyl 3-aminopentanoate 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-(2-methylpropoxy)ethyl 3-aminopentanoate is sourced from PubChem (CID 106448091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).