ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate

C8H15NO3 — CID 59475900

IUPACethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](O)CCN1C
InChIInChI=1S/C8H15NO3/c1-3-12-8(11)7-6(10)4-5-9(7)2/h6-7,10H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyUBUWKMJQIVVHHU-BQBZGAKWSA-N
MW173.21 g/mol
LogP-0.39
Rot. Bonds2

About ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate

ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate (PubChem CID 59475900) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate
PubChem CID59475900
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](O)CCN1C
InChIInChI=1S/C8H15NO3/c1-3-12-8(11)7-6(10)4-5-9(7)2/h6-7,10H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyUBUWKMJQIVVHHU-BQBZGAKWSA-N
XLogP-0.39
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 ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate (CID 59475900) is ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1[C@@H](O)CCN1C.
What is the InChIKey of ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate?
The InChIKey is UBUWKMJQIVVHHU-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-12-8(11)7-6(10)4-5-9(7)2/h6-7,10H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate?
ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-3-hydroxy-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 59475900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).