ethyl 2-(cyclopentylamino)-2-oxoacetate

C9H15NO3 — CID 3413433

IUPACethyl 2-(cyclopentylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C9H15NO3/c1-2-13-9(12)8(11)10-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyZKKFADBWPCWTAH-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.61
Rot. Bonds2

About ethyl 2-(cyclopentylamino)-2-oxoacetate

ethyl 2-(cyclopentylamino)-2-oxoacetate (PubChem CID 3413433) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-oxoacetate
PubChem CID3413433
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 2-(cyclopentylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C9H15NO3/c1-2-13-9(12)8(11)10-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyZKKFADBWPCWTAH-UHFFFAOYSA-N
XLogP0.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-oxoacetate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-oxoacetate (CID 3413433) is ethyl 2-(cyclopentylamino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-oxoacetate is CCOC(=O)C(=O)NC1CCCC1.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-oxoacetate?
The InChIKey is ZKKFADBWPCWTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-13-9(12)8(11)10-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of ethyl 2-(cyclopentylamino)-2-oxoacetate?
ethyl 2-(cyclopentylamino)-2-oxoacetate has a molecular weight of 185.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-2-oxoacetate is sourced from PubChem (CID 3413433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).