ethyl 4-(tert-butylcarbamoylamino)butanoate

C11H22N2O3 — CID 60677463

IUPACethyl 4-(tert-butylcarbamoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-16-9(14)7-6-8-12-10(15)13-11(2,3)4/h5-8H2,1-4H3,(H2,12,13,15)
InChIKeyGUWUQBMQZILHDE-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.43
Rot. Bonds5

About ethyl 4-(tert-butylcarbamoylamino)butanoate

ethyl 4-(tert-butylcarbamoylamino)butanoate (PubChem CID 60677463) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 4-(tert-butylcarbamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(tert-butylcarbamoylamino)butanoate
PubChem CID60677463
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 4-(tert-butylcarbamoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-16-9(14)7-6-8-12-10(15)13-11(2,3)4/h5-8H2,1-4H3,(H2,12,13,15)
InChIKeyGUWUQBMQZILHDE-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(tert-butylcarbamoylamino)butanoate?
The IUPAC name of ethyl 4-(tert-butylcarbamoylamino)butanoate (CID 60677463) is ethyl 4-(tert-butylcarbamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(tert-butylcarbamoylamino)butanoate?
The canonical SMILES for ethyl 4-(tert-butylcarbamoylamino)butanoate is CCOC(=O)CCCNC(=O)NC(C)(C)C.
What is the InChIKey of ethyl 4-(tert-butylcarbamoylamino)butanoate?
The InChIKey is GUWUQBMQZILHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-16-9(14)7-6-8-12-10(15)13-11(2,3)4/h5-8H2,1-4H3,(H2,12,13,15).
What are the key properties of ethyl 4-(tert-butylcarbamoylamino)butanoate?
ethyl 4-(tert-butylcarbamoylamino)butanoate has a molecular weight of 230.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(tert-butylcarbamoylamino)butanoate is sourced from PubChem (CID 60677463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).