ethyl 2-(butylcarbamoylamino)-3-methylbutanoate

C12H24N2O3 — CID 142066836

IUPACethyl 2-(butylcarbamoylamino)-3-methylbutanoate
SMILESCCCCNC(=O)NC(C(=O)OCC)C(C)C
InChIInChI=1S/C12H24N2O3/c1-5-7-8-13-12(16)14-10(9(3)4)11(15)17-6-2/h9-10H,5-8H2,1-4H3,(H2,13,14,16)
InChIKeyLICRWEXTSDWLGC-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.67
Rot. Bonds7

About ethyl 2-(butylcarbamoylamino)-3-methylbutanoate

ethyl 2-(butylcarbamoylamino)-3-methylbutanoate (PubChem CID 142066836) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-(butylcarbamoylamino)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(butylcarbamoylamino)-3-methylbutanoate
PubChem CID142066836
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-(butylcarbamoylamino)-3-methylbutanoate
SMILESCCCCNC(=O)NC(C(=O)OCC)C(C)C
InChIInChI=1S/C12H24N2O3/c1-5-7-8-13-12(16)14-10(9(3)4)11(15)17-6-2/h9-10H,5-8H2,1-4H3,(H2,13,14,16)
InChIKeyLICRWEXTSDWLGC-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.67
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 2-(butylcarbamoylamino)-3-methylbutanoate?
The IUPAC name of ethyl 2-(butylcarbamoylamino)-3-methylbutanoate (CID 142066836) is ethyl 2-(butylcarbamoylamino)-3-methylbutanoate.
What is the SMILES notation for ethyl 2-(butylcarbamoylamino)-3-methylbutanoate?
The canonical SMILES for ethyl 2-(butylcarbamoylamino)-3-methylbutanoate is CCCCNC(=O)NC(C(=O)OCC)C(C)C.
What is the InChIKey of ethyl 2-(butylcarbamoylamino)-3-methylbutanoate?
The InChIKey is LICRWEXTSDWLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-7-8-13-12(16)14-10(9(3)4)11(15)17-6-2/h9-10H,5-8H2,1-4H3,(H2,13,14,16).
What are the key properties of ethyl 2-(butylcarbamoylamino)-3-methylbutanoate?
ethyl 2-(butylcarbamoylamino)-3-methylbutanoate has a molecular weight of 244.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butylcarbamoylamino)-3-methylbutanoate is sourced from PubChem (CID 142066836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).