ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate

C9H16NO3- — CID 88508126

IUPACethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN([O-])CC1CC
InChIInChI=1S/C9H16NO3/c1-3-7-5-10(12)6-8(7)9(11)13-4-2/h7-8H,3-6H2,1-2H3/q-1
InChIKeyQAMVLBSWOSBSAD-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.01
Rot. Bonds3

About ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate

ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate (PubChem CID 88508126) has the molecular formula C9H16NO3- and a molecular weight of 186.23 g/mol. Its IUPAC name is ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate
PubChem CID88508126
Molecular FormulaC9H16NO3-
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Nameethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN([O-])CC1CC
InChIInChI=1S/C9H16NO3/c1-3-7-5-10(12)6-8(7)9(11)13-4-2/h7-8H,3-6H2,1-2H3/q-1
InChIKeyQAMVLBSWOSBSAD-UHFFFAOYSA-N
XLogP1.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate (CID 88508126) is ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate is CCOC(=O)C1CN([O-])CC1CC.
What is the InChIKey of ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate?
The InChIKey is QAMVLBSWOSBSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO3/c1-3-7-5-10(12)6-8(7)9(11)13-4-2/h7-8H,3-6H2,1-2H3/q-1.
What are the key properties of ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate?
ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate has a molecular weight of 186.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate is sourced from PubChem (CID 88508126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).