ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate

C9H17NO3 — CID 10559488

IUPACethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](O)CN1CC
InChIInChI=1S/C9H17NO3/c1-3-10-6-7(11)5-8(10)9(12)13-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyBWAFKIUICWIDMI-SFYZADRCSA-N
MW187.24 g/mol
LogP0.00
Rot. Bonds3

About ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate

ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 10559488) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate
PubChem CID10559488
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](O)CN1CC
InChIInChI=1S/C9H17NO3/c1-3-10-6-7(11)5-8(10)9(12)13-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyBWAFKIUICWIDMI-SFYZADRCSA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate (CID 10559488) is ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1C[C@@H](O)CN1CC.
What is the InChIKey of ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is BWAFKIUICWIDMI-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-10-6-7(11)5-8(10)9(12)13-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate?
ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 10559488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).