1-ethoxypropan-2-yl 5-aminopentanoate

C10H21NO3 — CID 103489040

IUPAC1-ethoxypropan-2-yl 5-aminopentanoate
SMILESCCOCC(C)OC(=O)CCCCN
InChIInChI=1S/C10H21NO3/c1-3-13-8-9(2)14-10(12)6-4-5-7-11/h9H,3-8,11H2,1-2H3
InChIKeyJZBZYRVYJKOVLS-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.08
Rot. Bonds8

About 1-ethoxypropan-2-yl 5-aminopentanoate

1-ethoxypropan-2-yl 5-aminopentanoate (PubChem CID 103489040) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 5-aminopentanoate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 5-aminopentanoate
PubChem CID103489040
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-ethoxypropan-2-yl 5-aminopentanoate
SMILESCCOCC(C)OC(=O)CCCCN
InChIInChI=1S/C10H21NO3/c1-3-13-8-9(2)14-10(12)6-4-5-7-11/h9H,3-8,11H2,1-2H3
InChIKeyJZBZYRVYJKOVLS-UHFFFAOYSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethoxypropan-2-yl 5-aminopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-2-yl 7-aminoheptanoate
CID 60902438
1-ethoxypropan-2-yl 5-amino-4-methylpentanoate
CID 103488924
pentan-2-yl 6-aminohexanoate
CID 102982561
decan-2-yl 8-aminooctanoate
CID 15889565
undecan-2-yl 6-aminohexanoate
CID 11324717
1-propoxypropan-2-yl nonanoate
CID 91699050
2-nonadecanoyloxypropyl nonadecanoate
CID 13161520
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate
CID 103488952

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 5-aminopentanoate?
The IUPAC name of 1-ethoxypropan-2-yl 5-aminopentanoate (CID 103489040) is 1-ethoxypropan-2-yl 5-aminopentanoate.
What is the SMILES notation for 1-ethoxypropan-2-yl 5-aminopentanoate?
The canonical SMILES for 1-ethoxypropan-2-yl 5-aminopentanoate is CCOCC(C)OC(=O)CCCCN.
What is the InChIKey of 1-ethoxypropan-2-yl 5-aminopentanoate?
The InChIKey is JZBZYRVYJKOVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-13-8-9(2)14-10(12)6-4-5-7-11/h9H,3-8,11H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-yl 5-aminopentanoate?
1-ethoxypropan-2-yl 5-aminopentanoate has a molecular weight of 203.28 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 5-aminopentanoate is sourced from PubChem (CID 103489040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).