ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate

C14H29NO3 — CID 103246903

IUPACethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate
SMILESCCOC(=O)CC(O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-7-18-12(17)8-11(16)9-15-14(5,6)10-13(2,3)4/h11,15-16H,7-10H2,1-6H3
InChIKeyWFBPTASYDDJTRD-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.10
Rot. Bonds7

About ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate

ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate (PubChem CID 103246903) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate
PubChem CID103246903
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nameethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate
SMILESCCOC(=O)CC(O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-7-18-12(17)8-11(16)9-15-14(5,6)10-13(2,3)4/h11,15-16H,7-10H2,1-6H3
InChIKeyWFBPTASYDDJTRD-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 63934217
1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 54940811
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate
CID 103235946
ethyl 3-hydroxy-4-(2,3,4,5,6-pentafluoroanilino)butanoate
CID 103260878
ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate
CID 103261561
ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate
CID 103263974
ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate
CID 103261675
ethyl 3-hydroxy-4-[2-(trifluoromethoxy)anilino]butanoate
CID 103233505
ethyl 3-hydroxy-4-(2-methylsulfanylpropylamino)butanoate
CID 103265433
ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate
CID 103264908

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate (CID 103246903) is ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate is CCOC(=O)CC(O)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate?
The InChIKey is WFBPTASYDDJTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-7-18-12(17)8-11(16)9-15-14(5,6)10-13(2,3)4/h11,15-16H,7-10H2,1-6H3.
What are the key properties of ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate?
ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate has a molecular weight of 259.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate is sourced from PubChem (CID 103246903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).