ethyl 4-(methylcarbamoylamino)butanoate

C8H16N2O3 — CID 59006553

IUPACethyl 4-(methylcarbamoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)NC
InChIInChI=1S/C8H16N2O3/c1-3-13-7(11)5-4-6-10-8(12)9-2/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyHNFWAPCYHVKDTE-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.26
Rot. Bonds5

About ethyl 4-(methylcarbamoylamino)butanoate

ethyl 4-(methylcarbamoylamino)butanoate (PubChem CID 59006553) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl 4-(methylcarbamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(methylcarbamoylamino)butanoate
PubChem CID59006553
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl 4-(methylcarbamoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)NC
InChIInChI=1S/C8H16N2O3/c1-3-13-7(11)5-4-6-10-8(12)9-2/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyHNFWAPCYHVKDTE-UHFFFAOYSA-N
XLogP0.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.26
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-(methylcarbamoylamino)butanoate?
The IUPAC name of ethyl 4-(methylcarbamoylamino)butanoate (CID 59006553) is ethyl 4-(methylcarbamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(methylcarbamoylamino)butanoate?
The canonical SMILES for ethyl 4-(methylcarbamoylamino)butanoate is CCOC(=O)CCCNC(=O)NC.
What is the InChIKey of ethyl 4-(methylcarbamoylamino)butanoate?
The InChIKey is HNFWAPCYHVKDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-13-7(11)5-4-6-10-8(12)9-2/h3-6H2,1-2H3,(H2,9,10,12).
What are the key properties of ethyl 4-(methylcarbamoylamino)butanoate?
ethyl 4-(methylcarbamoylamino)butanoate has a molecular weight of 188.23 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methylcarbamoylamino)butanoate is sourced from PubChem (CID 59006553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).