2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate

C16H27NO4 — CID 174502059

IUPAC2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate
SMILESO=CC1CC[C@H](CO)N1CCOC(=O)CCC1CCCC1
InChIInChI=1S/C16H27NO4/c18-11-14-6-7-15(12-19)17(14)9-10-21-16(20)8-5-13-3-1-2-4-13/h11,13-15,19H,1-10,12H2/t14?,15-/m1/s1
InChIKeyAFNFTXQFMBSAPZ-YSSOQSIOSA-N
MW297.39 g/mol
LogP1.52
Rot. Bonds8

About 2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate

2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate (PubChem CID 174502059) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Name2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate
PubChem CID174502059
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate
SMILESO=CC1CC[C@H](CO)N1CCOC(=O)CCC1CCCC1
InChIInChI=1S/C16H27NO4/c18-11-14-6-7-15(12-19)17(14)9-10-21-16(20)8-5-13-3-1-2-4-13/h11,13-15,19H,1-10,12H2/t14?,15-/m1/s1
InChIKeyAFNFTXQFMBSAPZ-YSSOQSIOSA-N
XLogP1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyethyl)-4-pentylpyrrolidine-2-carboxylic acid
CID 18446316
Ethane;heptyl 1-(6-acetyloxyhexyl)-4-methylpyrrolidine-2-carboxylate;hexan-1-ol;3-hexylundecan-2-one
CID 172252265
Ethane;heptyl 1-[6-(2-hexyldecanoyloxy)hexyl]-4-methylpyrrolidine-2-carboxylate;3-hexylundecan-2-one;pentan-1-ol
CID 172252333
Ethane;(9-hexyl-8-oxoheptadecyl) 1-[6-(2-hexyldecanoyloxy)hexyl]-4-methylpyrrolidine-2-carboxylate;pentan-1-ol
CID 172385139
[3-[(2R)-5-formylpyrrolidin-2-yl]-3-hydroxypropyl] 3-cyclopentylpropanoate
CID 174640694
(2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid
CID 178086649
2-Cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid
CID 178086894
Methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 103160960
tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 103160981
tert-butyl (2R)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 103160983

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate?
The IUPAC name of 2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate (CID 174502059) is 2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate.
What is the SMILES notation for 2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate?
The canonical SMILES for 2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate is O=CC1CC[C@H](CO)N1CCOC(=O)CCC1CCCC1.
What is the InChIKey of 2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate?
The InChIKey is AFNFTXQFMBSAPZ-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H27NO4/c18-11-14-6-7-15(12-19)17(14)9-10-21-16(20)8-5-13-3-1-2-4-13/h11,13-15,19H,1-10,12H2/t14?,15-/m1/s1.
What are the key properties of 2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate?
2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate has a molecular weight of 297.39 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate is sourced from PubChem (CID 174502059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).