ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate

C10H19NO2 — CID 155821435

IUPACethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate
SMILESCCOC(=O)CC[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C10H19NO2/c1-2-13-10(12)6-4-8-3-5-9(11)7-8/h8-9H,2-7,11H2,1H3/t8-,9-/m0/s1
InChIKeyPQCSSQCEUUCLDE-IUCAKERBSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds4

About ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate

ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate (PubChem CID 155821435) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate
PubChem CID155821435
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate
SMILESCCOC(=O)CC[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C10H19NO2/c1-2-13-10(12)6-4-8-3-5-9(11)7-8/h8-9H,2-7,11H2,1H3/t8-,9-/m0/s1
InChIKeyPQCSSQCEUUCLDE-IUCAKERBSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate?
The IUPAC name of ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate (CID 155821435) is ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate.
What is the SMILES notation for ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate?
The canonical SMILES for ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate is CCOC(=O)CC[C@@H]1CC[C@H](N)C1.
What is the InChIKey of ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate?
The InChIKey is PQCSSQCEUUCLDE-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-13-10(12)6-4-8-3-5-9(11)7-8/h8-9H,2-7,11H2,1H3/t8-,9-/m0/s1.
What are the key properties of ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate?
ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate is sourced from PubChem (CID 155821435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).