ethyl 4-(dimethylamino)-2-hydroxybutanoate

C8H17NO3 — CID 76539455

IUPACethyl 4-(dimethylamino)-2-hydroxybutanoate
SMILESCCOC(=O)C(O)CCN(C)C
InChIInChI=1S/C8H17NO3/c1-4-12-8(11)7(10)5-6-9(2)3/h7,10H,4-6H2,1-3H3
InChIKeyGMDIHMBAHFQUCL-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.14
Rot. Bonds5

About ethyl 4-(dimethylamino)-2-hydroxybutanoate

ethyl 4-(dimethylamino)-2-hydroxybutanoate (PubChem CID 76539455) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl 4-(dimethylamino)-2-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(dimethylamino)-2-hydroxybutanoate
PubChem CID76539455
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl 4-(dimethylamino)-2-hydroxybutanoate
SMILESCCOC(=O)C(O)CCN(C)C
InChIInChI=1S/C8H17NO3/c1-4-12-8(11)7(10)5-6-9(2)3/h7,10H,4-6H2,1-3H3
InChIKeyGMDIHMBAHFQUCL-UHFFFAOYSA-N
XLogP-0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylamino)-2-hydroxybutanoate?
The IUPAC name of ethyl 4-(dimethylamino)-2-hydroxybutanoate (CID 76539455) is ethyl 4-(dimethylamino)-2-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(dimethylamino)-2-hydroxybutanoate?
The canonical SMILES for ethyl 4-(dimethylamino)-2-hydroxybutanoate is CCOC(=O)C(O)CCN(C)C.
What is the InChIKey of ethyl 4-(dimethylamino)-2-hydroxybutanoate?
The InChIKey is GMDIHMBAHFQUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-12-8(11)7(10)5-6-9(2)3/h7,10H,4-6H2,1-3H3.
What are the key properties of ethyl 4-(dimethylamino)-2-hydroxybutanoate?
ethyl 4-(dimethylamino)-2-hydroxybutanoate has a molecular weight of 175.23 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylamino)-2-hydroxybutanoate is sourced from PubChem (CID 76539455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).