ethyl 4-(butylcarbamoylamino)butanoate

C11H22N2O3 — CID 60677353

IUPACethyl 4-(butylcarbamoylamino)butanoate
SMILESCCCCNC(=O)NCCCC(=O)OCC
InChIInChI=1S/C11H22N2O3/c1-3-5-8-12-11(15)13-9-6-7-10(14)16-4-2/h3-9H2,1-2H3,(H2,12,13,15)
InChIKeyPMZTUMWKAZUPBR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.43
Rot. Bonds8

About ethyl 4-(butylcarbamoylamino)butanoate

ethyl 4-(butylcarbamoylamino)butanoate (PubChem CID 60677353) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 4-(butylcarbamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(butylcarbamoylamino)butanoate
PubChem CID60677353
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 4-(butylcarbamoylamino)butanoate
SMILESCCCCNC(=O)NCCCC(=O)OCC
InChIInChI=1S/C11H22N2O3/c1-3-5-8-12-11(15)13-9-6-7-10(14)16-4-2/h3-9H2,1-2H3,(H2,12,13,15)
InChIKeyPMZTUMWKAZUPBR-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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'}

Analyze ethyl 4-(butylcarbamoylamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
ethyl 4-(pentanoylamino)butanoate
CID 60654722
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
ethyl 5-(butanoylamino)pentanoate
CID 131842627
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
3-[[(4-ethoxy-4-oxobutyl)carbamoylamino]methyl]pentanoic acid
CID 81069528
ethyl 7-[(N-butyl-N'-methylcarbamimidoyl)amino]heptanoate;hydroiodide
CID 111151917
butan-1-amine;N-butylpentanamide;ethanol;ethyl pentanoate
CID 159880902
ethyl 4-[(2-butylsulfanylacetyl)amino]butanoate
CID 60625559

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(butylcarbamoylamino)butanoate?
The IUPAC name of ethyl 4-(butylcarbamoylamino)butanoate (CID 60677353) is ethyl 4-(butylcarbamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(butylcarbamoylamino)butanoate?
The canonical SMILES for ethyl 4-(butylcarbamoylamino)butanoate is CCCCNC(=O)NCCCC(=O)OCC.
What is the InChIKey of ethyl 4-(butylcarbamoylamino)butanoate?
The InChIKey is PMZTUMWKAZUPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-5-8-12-11(15)13-9-6-7-10(14)16-4-2/h3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of ethyl 4-(butylcarbamoylamino)butanoate?
ethyl 4-(butylcarbamoylamino)butanoate has a molecular weight of 230.31 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(butylcarbamoylamino)butanoate is sourced from PubChem (CID 60677353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).