3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one

C9H17NO3 — CID 66291781

IUPAC3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H17NO3/c1-2-13-6-4-9(12)10-5-3-8(11)7-10/h8,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyHYSGHWAGHOIAQY-MRVPVSSYSA-N
MW187.24 g/mol
LogP0.01
Rot. Bonds4

About 3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one

3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one (PubChem CID 66291781) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
PubChem CID66291781
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H17NO3/c1-2-13-6-4-9(12)10-5-3-8(11)7-10/h8,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyHYSGHWAGHOIAQY-MRVPVSSYSA-N
XLogP0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
CID 107224835
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one
CID 102958903
1-(3-hydroxypyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107028868
3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
4-ethoxy-1-[3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 81466362
1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-prop-2-enoxybutan-1-one
CID 111561657
1-(3-hydroxypyrrolidin-1-yl)tridecane-1,12-dione
CID 134480941
3-(2,2-difluoroethoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107224846
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one (CID 66291781) is 3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one is CCOCCC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The InChIKey is HYSGHWAGHOIAQY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-6-4-9(12)10-5-3-8(11)7-10/h8,11H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of 3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one has a molecular weight of 187.24 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 66291781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).