ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate

C11H22N2O3 — CID 63054023

IUPACethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
SMILESCCOC(=O)C(N)CCN1CCCOCC1
InChIInChI=1S/C11H22N2O3/c1-2-16-11(14)10(12)4-6-13-5-3-8-15-9-7-13/h10H,2-9,12H2,1H3
InChIKeyWDBFPTABHJLMOY-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.01
Rot. Bonds5

About ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate

ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate (PubChem CID 63054023) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
PubChem CID63054023
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
SMILESCCOC(=O)C(N)CCN1CCCOCC1
InChIInChI=1S/C11H22N2O3/c1-2-16-11(14)10(12)4-6-13-5-3-8-15-9-7-13/h10H,2-9,12H2,1H3
InChIKeyWDBFPTABHJLMOY-UHFFFAOYSA-N
XLogP-0.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
CID 103973536
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
ethyl 2-amino-2-methyl-4-(1,4-oxazepan-4-yl)butanoate
CID 62974765
methanamine;4-propyl-1,4-oxazepane
CID 169188972
(3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide
CID 118882622
ethyl acetate;4-propylmorpholine
CID 160534633
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242
4-(1,4-oxazepan-4-yl)-2-(propylamino)butanoic acid
CID 55142794
ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide
CID 160558993
ethyl (2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutanoate
CID 122454826
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
4-hexyl-1,4-oxazepane
CID 166849903

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate?
The IUPAC name of ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate (CID 63054023) is ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate.
What is the SMILES notation for ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate?
The canonical SMILES for ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate is CCOC(=O)C(N)CCN1CCCOCC1.
What is the InChIKey of ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate?
The InChIKey is WDBFPTABHJLMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-16-11(14)10(12)4-6-13-5-3-8-15-9-7-13/h10H,2-9,12H2,1H3.
What are the key properties of ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate?
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate has a molecular weight of 230.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate is sourced from PubChem (CID 63054023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).