ethyl 4-(2-methylpropanoylamino)butanoate

C10H19NO3 — CID 23540451

IUPACethyl 4-(2-methylpropanoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-4-14-9(12)6-5-7-11-10(13)8(2)3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyPATNZKFACAIHBF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.10
Rot. Bonds6

About ethyl 4-(2-methylpropanoylamino)butanoate

ethyl 4-(2-methylpropanoylamino)butanoate (PubChem CID 23540451) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 4-(2-methylpropanoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-methylpropanoylamino)butanoate
PubChem CID23540451
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 4-(2-methylpropanoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-4-14-9(12)6-5-7-11-10(13)8(2)3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyPATNZKFACAIHBF-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
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-(2-methylpropanoylamino)butanoate?
The IUPAC name of ethyl 4-(2-methylpropanoylamino)butanoate (CID 23540451) is ethyl 4-(2-methylpropanoylamino)butanoate.
What is the SMILES notation for ethyl 4-(2-methylpropanoylamino)butanoate?
The canonical SMILES for ethyl 4-(2-methylpropanoylamino)butanoate is CCOC(=O)CCCNC(=O)C(C)C.
What is the InChIKey of ethyl 4-(2-methylpropanoylamino)butanoate?
The InChIKey is PATNZKFACAIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-14-9(12)6-5-7-11-10(13)8(2)3/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of ethyl 4-(2-methylpropanoylamino)butanoate?
ethyl 4-(2-methylpropanoylamino)butanoate has a molecular weight of 201.27 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylpropanoylamino)butanoate is sourced from PubChem (CID 23540451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).