ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate

C10H17NO2 — CID 166888751

IUPACethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate
SMILESCCOC(=O)[C@@H](N)C1CC2(CC2)C1
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)8(11)7-5-10(6-7)3-4-10/h7-8H,2-6,11H2,1H3/t8-/m0/s1
InChIKeyVJPMPFUMRAGEBD-QMMMGPOBSA-N
MW183.25 g/mol
LogP1.07
Rot. Bonds3

About ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate

ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate (PubChem CID 166888751) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate
PubChem CID166888751
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate
SMILESCCOC(=O)[C@@H](N)C1CC2(CC2)C1
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)8(11)7-5-10(6-7)3-4-10/h7-8H,2-6,11H2,1H3/t8-/m0/s1
InChIKeyVJPMPFUMRAGEBD-QMMMGPOBSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate?
The IUPAC name of ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate (CID 166888751) is ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate.
What is the SMILES notation for ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate?
The canonical SMILES for ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate is CCOC(=O)[C@@H](N)C1CC2(CC2)C1.
What is the InChIKey of ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate?
The InChIKey is VJPMPFUMRAGEBD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-9(12)8(11)7-5-10(6-7)3-4-10/h7-8H,2-6,11H2,1H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate?
ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate has a molecular weight of 183.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate is sourced from PubChem (CID 166888751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).