ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate

C12H21NO2 — CID 10998314

IUPACethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)C1=CCCC1
InChIInChI=1S/C12H21NO2/c1-3-9-13-11(12(14)15-4-2)10-7-5-6-8-10/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyTVCGWYZSGFIYHN-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.03
Rot. Bonds6

About ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate

ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate (PubChem CID 10998314) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate
PubChem CID10998314
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)C1=CCCC1
InChIInChI=1S/C12H21NO2/c1-3-9-13-11(12(14)15-4-2)10-7-5-6-8-10/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyTVCGWYZSGFIYHN-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate?
The IUPAC name of ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate (CID 10998314) is ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate.
What is the SMILES notation for ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate?
The canonical SMILES for ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate is CCCNC(C(=O)OCC)C1=CCCC1.
What is the InChIKey of ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate?
The InChIKey is TVCGWYZSGFIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-9-13-11(12(14)15-4-2)10-7-5-6-8-10/h7,11,13H,3-6,8-9H2,1-2H3.
What are the key properties of ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate?
ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate has a molecular weight of 211.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate is sourced from PubChem (CID 10998314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).