[2-(ethylamino)-1-hydroxyethyl] acetate

C6H13NO3 — CID 21279601

IUPAC[2-(ethylamino)-1-hydroxyethyl] acetate
SMILESCCNCC(O)OC(C)=O
InChIInChI=1S/C6H13NO3/c1-3-7-4-6(9)10-5(2)8/h6-7,9H,3-4H2,1-2H3
InChIKeyLLAVDCBQDJBXGB-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.52
Rot. Bonds4

About [2-(ethylamino)-1-hydroxyethyl] acetate

[2-(ethylamino)-1-hydroxyethyl] acetate (PubChem CID 21279601) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is [2-(ethylamino)-1-hydroxyethyl] acetate.

Molecular Properties

Compound Name[2-(ethylamino)-1-hydroxyethyl] acetate
PubChem CID21279601
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name[2-(ethylamino)-1-hydroxyethyl] acetate
SMILESCCNCC(O)OC(C)=O
InChIInChI=1S/C6H13NO3/c1-3-7-4-6(9)10-5(2)8/h6-7,9H,3-4H2,1-2H3
InChIKeyLLAVDCBQDJBXGB-UHFFFAOYSA-N
XLogP-0.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-1-hydroxyethyl] acetate?
The IUPAC name of [2-(ethylamino)-1-hydroxyethyl] acetate (CID 21279601) is [2-(ethylamino)-1-hydroxyethyl] acetate.
What is the SMILES notation for [2-(ethylamino)-1-hydroxyethyl] acetate?
The canonical SMILES for [2-(ethylamino)-1-hydroxyethyl] acetate is CCNCC(O)OC(C)=O.
What is the InChIKey of [2-(ethylamino)-1-hydroxyethyl] acetate?
The InChIKey is LLAVDCBQDJBXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-7-4-6(9)10-5(2)8/h6-7,9H,3-4H2,1-2H3.
What are the key properties of [2-(ethylamino)-1-hydroxyethyl] acetate?
[2-(ethylamino)-1-hydroxyethyl] acetate has a molecular weight of 147.17 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-1-hydroxyethyl] acetate is sourced from PubChem (CID 21279601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).