ethyl 4-(4-hydroxybutylamino)butanoate

C10H21NO3 — CID 64580289

IUPACethyl 4-(4-hydroxybutylamino)butanoate
SMILESCCOC(=O)CCCNCCCCO
InChIInChI=1S/C10H21NO3/c1-2-14-10(13)6-5-8-11-7-3-4-9-12/h11-12H,2-9H2,1H3
InChIKeyYYRLLEULSSXQKJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.69
Rot. Bonds9

About ethyl 4-(4-hydroxybutylamino)butanoate

ethyl 4-(4-hydroxybutylamino)butanoate (PubChem CID 64580289) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 4-(4-hydroxybutylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxybutylamino)butanoate
PubChem CID64580289
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl 4-(4-hydroxybutylamino)butanoate
SMILESCCOC(=O)CCCNCCCCO
InChIInChI=1S/C10H21NO3/c1-2-14-10(13)6-5-8-11-7-3-4-9-12/h11-12H,2-9H2,1H3
InChIKeyYYRLLEULSSXQKJ-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
3-[(4-ethoxy-4-oxobutyl)amino]propanoic acid
CID 64579324
pentyl 9-(4-hydroxybutylamino)nonanoate
CID 171836775
ethyl 3-(octylamino)propanoate
CID 46318537
ethyl octadecanoate;octadecan-1-ol
CID 167711547
acetic acid;ethyl 4-hydroxybutanoate
CID 173148850
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
cyclohexane;ethyl 4-hydroxybutanoate
CID 67158425
methyl 4-(3-hydroxypropylamino)butanoate
CID 43392879
ethyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]butanoate
CID 81418963
ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
CID 103605712
ethyl 6-(5-methylsulfanylpentylamino)hexanoate
CID 114127320

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxybutylamino)butanoate?
The IUPAC name of ethyl 4-(4-hydroxybutylamino)butanoate (CID 64580289) is ethyl 4-(4-hydroxybutylamino)butanoate.
What is the SMILES notation for ethyl 4-(4-hydroxybutylamino)butanoate?
The canonical SMILES for ethyl 4-(4-hydroxybutylamino)butanoate is CCOC(=O)CCCNCCCCO.
What is the InChIKey of ethyl 4-(4-hydroxybutylamino)butanoate?
The InChIKey is YYRLLEULSSXQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-14-10(13)6-5-8-11-7-3-4-9-12/h11-12H,2-9H2,1H3.
What are the key properties of ethyl 4-(4-hydroxybutylamino)butanoate?
ethyl 4-(4-hydroxybutylamino)butanoate has a molecular weight of 203.28 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxybutylamino)butanoate is sourced from PubChem (CID 64580289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).