ethyl 4-(cyclopentylcarbamoylamino)butanoate

C12H22N2O3 — CID 113219952

IUPACethyl 4-(cyclopentylcarbamoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O3/c1-2-17-11(15)8-5-9-13-12(16)14-10-6-3-4-7-10/h10H,2-9H2,1H3,(H2,13,14,16)
InChIKeyZMXDQNZTYXSLDX-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.57
Rot. Bonds6

About ethyl 4-(cyclopentylcarbamoylamino)butanoate

ethyl 4-(cyclopentylcarbamoylamino)butanoate (PubChem CID 113219952) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 4-(cyclopentylcarbamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(cyclopentylcarbamoylamino)butanoate
PubChem CID113219952
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 4-(cyclopentylcarbamoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O3/c1-2-17-11(15)8-5-9-13-12(16)14-10-6-3-4-7-10/h10H,2-9H2,1H3,(H2,13,14,16)
InChIKeyZMXDQNZTYXSLDX-UHFFFAOYSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.57
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-(cyclopentylcarbamoylamino)butanoate?
The IUPAC name of ethyl 4-(cyclopentylcarbamoylamino)butanoate (CID 113219952) is ethyl 4-(cyclopentylcarbamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(cyclopentylcarbamoylamino)butanoate?
The canonical SMILES for ethyl 4-(cyclopentylcarbamoylamino)butanoate is CCOC(=O)CCCNC(=O)NC1CCCC1.
What is the InChIKey of ethyl 4-(cyclopentylcarbamoylamino)butanoate?
The InChIKey is ZMXDQNZTYXSLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-17-11(15)8-5-9-13-12(16)14-10-6-3-4-7-10/h10H,2-9H2,1H3,(H2,13,14,16).
What are the key properties of ethyl 4-(cyclopentylcarbamoylamino)butanoate?
ethyl 4-(cyclopentylcarbamoylamino)butanoate has a molecular weight of 242.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopentylcarbamoylamino)butanoate is sourced from PubChem (CID 113219952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).