benzyl N-[5-(hydroxyamino)pentyl]carbamate

C13H20N2O3 — CID 10944908

IUPACbenzyl N-[5-(hydroxyamino)pentyl]carbamate
SMILESO=C(NCCCCCNO)OCc1ccccc1
InChIInChI=1S/C13H20N2O3/c16-13(14-9-5-2-6-10-15-17)18-11-12-7-3-1-4-8-12/h1,3-4,7-8,15,17H,2,5-6,9-11H2,(H,14,16)
InChIKeyUXHPFRUOTVYCCQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.06
Rot. Bonds8

About benzyl N-[5-(hydroxyamino)pentyl]carbamate

benzyl N-[5-(hydroxyamino)pentyl]carbamate (PubChem CID 10944908) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is benzyl N-[5-(hydroxyamino)pentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-(hydroxyamino)pentyl]carbamate
PubChem CID10944908
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namebenzyl N-[5-(hydroxyamino)pentyl]carbamate
SMILESO=C(NCCCCCNO)OCc1ccccc1
InChIInChI=1S/C13H20N2O3/c16-13(14-9-5-2-6-10-15-17)18-11-12-7-3-1-4-8-12/h1,3-4,7-8,15,17H,2,5-6,9-11H2,(H,14,16)
InChIKeyUXHPFRUOTVYCCQ-UHFFFAOYSA-N
XLogP2.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-(hydroxyamino)pentyl]carbamate?
The IUPAC name of benzyl N-[5-(hydroxyamino)pentyl]carbamate (CID 10944908) is benzyl N-[5-(hydroxyamino)pentyl]carbamate.
What is the SMILES notation for benzyl N-[5-(hydroxyamino)pentyl]carbamate?
The canonical SMILES for benzyl N-[5-(hydroxyamino)pentyl]carbamate is O=C(NCCCCCNO)OCc1ccccc1.
What is the InChIKey of benzyl N-[5-(hydroxyamino)pentyl]carbamate?
The InChIKey is UXHPFRUOTVYCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-13(14-9-5-2-6-10-15-17)18-11-12-7-3-1-4-8-12/h1,3-4,7-8,15,17H,2,5-6,9-11H2,(H,14,16).
What are the key properties of benzyl N-[5-(hydroxyamino)pentyl]carbamate?
benzyl N-[5-(hydroxyamino)pentyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-(hydroxyamino)pentyl]carbamate is sourced from PubChem (CID 10944908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).