ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate

C10H17NO2 — CID 89399868

IUPACethyl 2-(spiro[2.3]hexan-5-ylamino)acetate
SMILESCCOC(=O)CNC1CC2(CC2)C1
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)7-11-8-5-10(6-8)3-4-10/h8,11H,2-7H2,1H3
InChIKeyZORNRRTUQSRRTF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds4

About ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate

ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate (PubChem CID 89399868) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(spiro[2.3]hexan-5-ylamino)acetate
PubChem CID89399868
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 2-(spiro[2.3]hexan-5-ylamino)acetate
SMILESCCOC(=O)CNC1CC2(CC2)C1
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)7-11-8-5-10(6-8)3-4-10/h8,11H,2-7H2,1H3
InChIKeyZORNRRTUQSRRTF-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate?
The IUPAC name of ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate (CID 89399868) is ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate.
What is the SMILES notation for ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate?
The canonical SMILES for ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate is CCOC(=O)CNC1CC2(CC2)C1.
What is the InChIKey of ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate?
The InChIKey is ZORNRRTUQSRRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-9(12)7-11-8-5-10(6-8)3-4-10/h8,11H,2-7H2,1H3.
What are the key properties of ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate?
ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate has a molecular weight of 183.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate is sourced from PubChem (CID 89399868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).