benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate

C17H26N2O3 — CID 151856393

IUPACbenzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate
SMILESO=C(NCCCCCN1CCC(O)C1)OCc1ccccc1
InChIInChI=1S/C17H26N2O3/c20-16-9-12-19(13-16)11-6-2-5-10-18-17(21)22-14-15-7-3-1-4-8-15/h1,3-4,7-8,16,20H,2,5-6,9-14H2,(H,18,21)
InChIKeySJTUQCQQILOMGU-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.15
Rot. Bonds8

About benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate

benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate (PubChem CID 151856393) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate
PubChem CID151856393
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namebenzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate
SMILESO=C(NCCCCCN1CCC(O)C1)OCc1ccccc1
InChIInChI=1S/C17H26N2O3/c20-16-9-12-19(13-16)11-6-2-5-10-18-17(21)22-14-15-7-3-1-4-8-15/h1,3-4,7-8,16,20H,2,5-6,9-14H2,(H,18,21)
InChIKeySJTUQCQQILOMGU-UHFFFAOYSA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate?
The IUPAC name of benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate (CID 151856393) is benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate.
What is the SMILES notation for benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate?
The canonical SMILES for benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate is O=C(NCCCCCN1CCC(O)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate?
The InChIKey is SJTUQCQQILOMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-16-9-12-19(13-16)11-6-2-5-10-18-17(21)22-14-15-7-3-1-4-8-15/h1,3-4,7-8,16,20H,2,5-6,9-14H2,(H,18,21).
What are the key properties of benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate?
benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate is sourced from PubChem (CID 151856393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).