methyl 3-(diethylamino)-4-hydroxybutanoate

C9H19NO3 — CID 105443683

IUPACmethyl 3-(diethylamino)-4-hydroxybutanoate
SMILESCCN(CC)C(CO)CC(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-10(5-2)8(7-11)6-9(12)13-3/h8,11H,4-7H2,1-3H3
InChIKeyRLILZGSTHUWWJQ-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.25
Rot. Bonds6

About methyl 3-(diethylamino)-4-hydroxybutanoate

methyl 3-(diethylamino)-4-hydroxybutanoate (PubChem CID 105443683) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 3-(diethylamino)-4-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 3-(diethylamino)-4-hydroxybutanoate
PubChem CID105443683
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 3-(diethylamino)-4-hydroxybutanoate
SMILESCCN(CC)C(CO)CC(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-10(5-2)8(7-11)6-9(12)13-3/h8,11H,4-7H2,1-3H3
InChIKeyRLILZGSTHUWWJQ-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl (2S)-2-(diethylamino)butanedioate
CID 7060831
methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 62026047
methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate
CID 61448932
methyl 3,4-dimethylpentanoate
CID 554058
methyl (3R)-4-hydroxy-3-(methylamino)butanoate
CID 88981665
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108828
methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 101356131
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90208676
methyl 6-amino-3-(dimethylamino)hexanoate
CID 148654494
methyl 3,3-dichloropropanoate
CID 522760
methyl 4-oxo-3-propanoylhexanoate
CID 50987809

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylamino)-4-hydroxybutanoate?
The IUPAC name of methyl 3-(diethylamino)-4-hydroxybutanoate (CID 105443683) is methyl 3-(diethylamino)-4-hydroxybutanoate.
What is the SMILES notation for methyl 3-(diethylamino)-4-hydroxybutanoate?
The canonical SMILES for methyl 3-(diethylamino)-4-hydroxybutanoate is CCN(CC)C(CO)CC(=O)OC.
What is the InChIKey of methyl 3-(diethylamino)-4-hydroxybutanoate?
The InChIKey is RLILZGSTHUWWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-10(5-2)8(7-11)6-9(12)13-3/h8,11H,4-7H2,1-3H3.
What are the key properties of methyl 3-(diethylamino)-4-hydroxybutanoate?
methyl 3-(diethylamino)-4-hydroxybutanoate has a molecular weight of 189.25 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylamino)-4-hydroxybutanoate is sourced from PubChem (CID 105443683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).