ethyl 3-(aziridin-1-yl)propanoate

C7H13NO2 — CID 20009

IUPACethyl 3-(aziridin-1-yl)propanoate
SMILESCCOC(=O)CCN1CC1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)3-4-8-5-6-8/h2-6H2,1H3
InChIKeyOUHQWZTZDABZTB-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.26
Rot. Bonds4

About ethyl 3-(aziridin-1-yl)propanoate

ethyl 3-(aziridin-1-yl)propanoate (PubChem CID 20009) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl 3-(aziridin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(aziridin-1-yl)propanoate
PubChem CID20009
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl 3-(aziridin-1-yl)propanoate
SMILESCCOC(=O)CCN1CC1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)3-4-8-5-6-8/h2-6H2,1H3
InChIKeyOUHQWZTZDABZTB-UHFFFAOYSA-N
XLogP0.26
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

beta-Alanine, N,N-dimethyl-, ethyl ester
CID 88372
Ethyl 3-(diethylamino)propionate
CID 79649
1-Aziridinepropionic acid, 2,2-dimethylpropyl ester
CID 57566
Ethyl 3-(dipropylamino)propanoate
CID 98749
N,N-Di-(beta-carboethoxyethyl)methylamine
CID 228362
Methyl 3-(1-aziridinyl)propionate
CID 14087
Propargyl 1-aziridinepropionate
CID 31184
Propionic acid, 3-(2,2-dimethyl-1-aziridinyl)-, methyl ester
CID 97327
1-(3-Methoxy-3-oxopropyl)-1-methylaziridin-1-ium iodide
CID 3063131
1-Aziridinepropionic acid, propyl ester
CID 32039
1-Aziridinepropionic acid, isopropyl ester
CID 32040
1-Aziridinepropionic acid, sec-butyl ester
CID 32041

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(aziridin-1-yl)propanoate?
The IUPAC name of ethyl 3-(aziridin-1-yl)propanoate (CID 20009) is ethyl 3-(aziridin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(aziridin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(aziridin-1-yl)propanoate is CCOC(=O)CCN1CC1.
What is the InChIKey of ethyl 3-(aziridin-1-yl)propanoate?
The InChIKey is OUHQWZTZDABZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-10-7(9)3-4-8-5-6-8/h2-6H2,1H3.
What are the key properties of ethyl 3-(aziridin-1-yl)propanoate?
ethyl 3-(aziridin-1-yl)propanoate has a molecular weight of 143.19 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(aziridin-1-yl)propanoate is sourced from PubChem (CID 20009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).