ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate

C14H25NO3 — CID 62070382

IUPACethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate
SMILESCCOC(=O)C(NCC1CCCO1)C1CCCC1
InChIInChI=1S/C14H25NO3/c1-2-17-14(16)13(11-6-3-4-7-11)15-10-12-8-5-9-18-12/h11-13,15H,2-10H2,1H3
InChIKeyINVWEQBDBBFBQO-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.88
Rot. Bonds6

About ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate

ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate (PubChem CID 62070382) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate
PubChem CID62070382
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate
SMILESCCOC(=O)C(NCC1CCCO1)C1CCCC1
InChIInChI=1S/C14H25NO3/c1-2-17-14(16)13(11-6-3-4-7-11)15-10-12-8-5-9-18-12/h11-13,15H,2-10H2,1H3
InChIKeyINVWEQBDBBFBQO-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate?
The IUPAC name of ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate (CID 62070382) is ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate is CCOC(=O)C(NCC1CCCO1)C1CCCC1.
What is the InChIKey of ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate?
The InChIKey is INVWEQBDBBFBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-17-14(16)13(11-6-3-4-7-11)15-10-12-8-5-9-18-12/h11-13,15H,2-10H2,1H3.
What are the key properties of ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate?
ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate has a molecular weight of 255.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate is sourced from PubChem (CID 62070382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).