[3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate

C16H27NO4 — CID 174640694

IUPAC[3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate
SMILESO=CC1CC[C@H](C(O)CCOC(=O)CCC2CCCC2)N1
InChIInChI=1S/C16H27NO4/c18-11-13-6-7-14(17-13)15(19)9-10-21-16(20)8-5-12-3-1-2-4-12/h11-15,17,19H,1-10H2/t13?,14-,15?/m1/s1
InChIKeyNBBZUBYICFJOEI-SHARSMKWSA-N
MW297.40 g/mol
LogP1.57
Rot. Bonds8

About [3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate

[3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate (PubChem CID 174640694) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is [3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate
PubChem CID174640694
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name[3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate
SMILESO=CC1CC[C@H](C(O)CCOC(=O)CCC2CCCC2)N1
InChIInChI=1S/C16H27NO4/c18-11-13-6-7-14(17-13)15(19)9-10-21-16(20)8-5-12-3-1-2-4-12/h11-15,17,19H,1-10H2/t13?,14-,15?/m1/s1
InChIKeyNBBZUBYICFJOEI-SHARSMKWSA-N
XLogP1.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate?
The IUPAC name of [3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate (CID 174640694) is [3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate?
The canonical SMILES for [3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate is O=CC1CC[C@H](C(O)CCOC(=O)CCC2CCCC2)N1.
What is the InChIKey of [3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate?
The InChIKey is NBBZUBYICFJOEI-SHARSMKWSA-N. The full InChI is InChI=1S/C16H27NO4/c18-11-13-6-7-14(17-13)15(19)9-10-21-16(20)8-5-12-3-1-2-4-12/h11-15,17,19H,1-10H2/t13?,14-,15?/m1/s1.
What are the key properties of [3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate?
[3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate has a molecular weight of 297.40 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 174640694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).