benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate

C17H25NO3 — CID 10493800

IUPACbenzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate
SMILESCCC(O)CCC1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO3/c1-2-16(19)11-10-15-9-6-12-18(15)17(20)21-13-14-7-4-3-5-8-14/h3-5,7-8,15-16,19H,2,6,9-13H2,1H3
InChIKeyRPANDCSIBWGOQD-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.34
Rot. Bonds6

About benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate

benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate (PubChem CID 10493800) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate
PubChem CID10493800
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namebenzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate
SMILESCCC(O)CCC1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO3/c1-2-16(19)11-10-15-9-6-12-18(15)17(20)21-13-14-7-4-3-5-8-14/h3-5,7-8,15-16,19H,2,6,9-13H2,1H3
InChIKeyRPANDCSIBWGOQD-UHFFFAOYSA-N
XLogP3.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
benzyl (2R)-2-(4-oxoheptyl)pyrrolidine-1-carboxylate
CID 11834092
benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
benzyl (2S)-2-(2-hydroxypropoxymethyl)pyrrolidine-1-carboxylate
CID 177494316
benzyl 2-(3-oxodecyl)pyrrolidine-1-carboxylate
CID 10642227
benzyl 2-(1-hydroxybutyl)pyrrolidine-1-carboxylate
CID 56976616
benzyl (2S)-2-[[[(2S)-2-aminopropanoyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564868
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate (CID 10493800) is benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate is CCC(O)CCC1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate?
The InChIKey is RPANDCSIBWGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-16(19)11-10-15-9-6-12-18(15)17(20)21-13-14-7-4-3-5-8-14/h3-5,7-8,15-16,19H,2,6,9-13H2,1H3.
What are the key properties of benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate?
benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 10493800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).