2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide

C8H16N2O3 — CID 58395758

IUPAC2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
SMILESCCOCC(=O)N[C@@H]1CNC[C@H]1O
InChIInChI=1S/C8H16N2O3/c1-2-13-5-8(12)10-6-3-9-4-7(6)11/h6-7,9,11H,2-5H2,1H3,(H,10,12)/t6-,7-/m1/s1
InChIKeyRIHQDYWSMQHIHN-RNFRBKRXSA-N
MW188.23 g/mol
LogP-1.53
Rot. Bonds4

About 2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide

2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide (PubChem CID 58395758) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
PubChem CID58395758
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
SMILESCCOCC(=O)N[C@@H]1CNC[C@H]1O
InChIInChI=1S/C8H16N2O3/c1-2-13-5-8(12)10-6-3-9-4-7(6)11/h6-7,9,11H,2-5H2,1H3,(H,10,12)/t6-,7-/m1/s1
InChIKeyRIHQDYWSMQHIHN-RNFRBKRXSA-N
XLogP-1.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide (CID 58395758) is 2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide is CCOCC(=O)N[C@@H]1CNC[C@H]1O.
What is the InChIKey of 2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide?
The InChIKey is RIHQDYWSMQHIHN-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-13-5-8(12)10-6-3-9-4-7(6)11/h6-7,9,11H,2-5H2,1H3,(H,10,12)/t6-,7-/m1/s1.
What are the key properties of 2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide?
2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide has a molecular weight of 188.23 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide is sourced from PubChem (CID 58395758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).