2-acetyloxyethyl 3-aminopropanoate

C7H13NO4 — CID 22321345

IUPAC2-acetyloxyethyl 3-aminopropanoate
SMILESCC(=O)OCCOC(=O)CCN
InChIInChI=1S/C7H13NO4/c1-6(9)11-4-5-12-7(10)2-3-8/h2-5,8H2,1H3
InChIKeyWEGUDDQOFKVZKW-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.56
Rot. Bonds5

About 2-acetyloxyethyl 3-aminopropanoate

2-acetyloxyethyl 3-aminopropanoate (PubChem CID 22321345) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-acetyloxyethyl 3-aminopropanoate.

Molecular Properties

Compound Name2-acetyloxyethyl 3-aminopropanoate
PubChem CID22321345
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-acetyloxyethyl 3-aminopropanoate
SMILESCC(=O)OCCOC(=O)CCN
InChIInChI=1S/C7H13NO4/c1-6(9)11-4-5-12-7(10)2-3-8/h2-5,8H2,1H3
InChIKeyWEGUDDQOFKVZKW-UHFFFAOYSA-N
XLogP-0.56
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
2-acetyloxyethyl hexanoate
CID 21336001
2-hydroxyethyl 3-aminopropanoate
CID 22321350
2-bromoethyl 3-aminopropanoate
CID 15703163
2-acetyloxyethyl 4-ethoxybutanoate
CID 23405564
2-methoxyethyl 18-acetyloxyoctadecanoate
CID 22678997
2-acetyloxyethyl 6-methylheptanoate
CID 175452078
bis(2-aminoethyl) butanedioate
CID 12073124
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate
CID 23544922
octyl 3-aminopropanoate;hydrochloride
CID 173393352

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl 3-aminopropanoate?
The IUPAC name of 2-acetyloxyethyl 3-aminopropanoate (CID 22321345) is 2-acetyloxyethyl 3-aminopropanoate.
What is the SMILES notation for 2-acetyloxyethyl 3-aminopropanoate?
The canonical SMILES for 2-acetyloxyethyl 3-aminopropanoate is CC(=O)OCCOC(=O)CCN.
What is the InChIKey of 2-acetyloxyethyl 3-aminopropanoate?
The InChIKey is WEGUDDQOFKVZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-6(9)11-4-5-12-7(10)2-3-8/h2-5,8H2,1H3.
What are the key properties of 2-acetyloxyethyl 3-aminopropanoate?
2-acetyloxyethyl 3-aminopropanoate has a molecular weight of 175.18 g/mol, XLogP of -0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl 3-aminopropanoate is sourced from PubChem (CID 22321345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).