1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone

C8H15NO2 — CID 118180487

IUPAC1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone
SMILESCC[C@H]1[C@@H](C(C)=O)NC[C@@H]1O
InChIInChI=1S/C8H15NO2/c1-3-6-7(11)4-9-8(6)5(2)10/h6-9,11H,3-4H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyZHGDCPVVGNUSFV-GJMOJQLCSA-N
MW157.21 g/mol
LogP-0.07
Rot. Bonds2

About 1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone

1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone (PubChem CID 118180487) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone
PubChem CID118180487
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone
SMILESCC[C@H]1[C@@H](C(C)=O)NC[C@@H]1O
InChIInChI=1S/C8H15NO2/c1-3-6-7(11)4-9-8(6)5(2)10/h6-9,11H,3-4H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyZHGDCPVVGNUSFV-GJMOJQLCSA-N
XLogP-0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone (CID 118180487) is 1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone is CC[C@H]1[C@@H](C(C)=O)NC[C@@H]1O.
What is the InChIKey of 1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone?
The InChIKey is ZHGDCPVVGNUSFV-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-6-7(11)4-9-8(6)5(2)10/h6-9,11H,3-4H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of 1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone?
1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone has a molecular weight of 157.21 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S,4R)-3-ethyl-4-hydroxypyrrolidin-2-yl]ethanone is sourced from PubChem (CID 118180487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).