ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate

C8H15NO3 — CID 23323991

IUPACethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN(C)CC1O
InChIInChI=1S/C8H15NO3/c1-3-12-8(11)6-4-9(2)5-7(6)10/h6-7,10H,3-5H2,1-2H3
InChIKeyNHEJBXJCZZKVGR-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.53
Rot. Bonds2

About ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate

ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate (PubChem CID 23323991) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate
PubChem CID23323991
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN(C)CC1O
InChIInChI=1S/C8H15NO3/c1-3-12-8(11)6-4-9(2)5-7(6)10/h6-7,10H,3-5H2,1-2H3
InChIKeyNHEJBXJCZZKVGR-UHFFFAOYSA-N
XLogP-0.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate (CID 23323991) is ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate is CCOC(=O)C1CN(C)CC1O.
What is the InChIKey of ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate?
The InChIKey is NHEJBXJCZZKVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-12-8(11)6-4-9(2)5-7(6)10/h6-7,10H,3-5H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate?
ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 23323991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).