ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate

C12H25NO3 — CID 154209131

IUPACethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate
SMILESCCOC(=O)C(CCN(CC)CC)C(C)O
InChIInChI=1S/C12H25NO3/c1-5-13(6-2)9-8-11(10(4)14)12(15)16-7-3/h10-11,14H,5-9H2,1-4H3
InChIKeyFVLCWQVWJKSYCE-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.28
Rot. Bonds8

About ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate

ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate (PubChem CID 154209131) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate
PubChem CID154209131
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nameethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate
SMILESCCOC(=O)C(CCN(CC)CC)C(C)O
InChIInChI=1S/C12H25NO3/c1-5-13(6-2)9-8-11(10(4)14)12(15)16-7-3/h10-11,14H,5-9H2,1-4H3
InChIKeyFVLCWQVWJKSYCE-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate?
The IUPAC name of ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate (CID 154209131) is ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate?
The canonical SMILES for ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate is CCOC(=O)C(CCN(CC)CC)C(C)O.
What is the InChIKey of ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate?
The InChIKey is FVLCWQVWJKSYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-13(6-2)9-8-11(10(4)14)12(15)16-7-3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate?
ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate has a molecular weight of 231.34 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(diethylamino)ethyl]-3-hydroxybutanoate is sourced from PubChem (CID 154209131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).