butyl N-(3-hydroxycyclobutyl)carbamate

C9H17NO3 — CID 90731053

IUPACbutyl N-(3-hydroxycyclobutyl)carbamate
SMILESCCCCOC(=O)NC1CC(O)C1
InChIInChI=1S/C9H17NO3/c1-2-3-4-13-9(12)10-7-5-8(11)6-7/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyNHCDKCAYARTQFD-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.04
Rot. Bonds4

About butyl N-(3-hydroxycyclobutyl)carbamate

butyl N-(3-hydroxycyclobutyl)carbamate (PubChem CID 90731053) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is butyl N-(3-hydroxycyclobutyl)carbamate.

Molecular Properties

Compound Namebutyl N-(3-hydroxycyclobutyl)carbamate
PubChem CID90731053
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namebutyl N-(3-hydroxycyclobutyl)carbamate
SMILESCCCCOC(=O)NC1CC(O)C1
InChIInChI=1S/C9H17NO3/c1-2-3-4-13-9(12)10-7-5-8(11)6-7/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyNHCDKCAYARTQFD-UHFFFAOYSA-N
XLogP1.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-(3-hydroxycyclobutyl)carbamate?
The IUPAC name of butyl N-(3-hydroxycyclobutyl)carbamate (CID 90731053) is butyl N-(3-hydroxycyclobutyl)carbamate.
What is the SMILES notation for butyl N-(3-hydroxycyclobutyl)carbamate?
The canonical SMILES for butyl N-(3-hydroxycyclobutyl)carbamate is CCCCOC(=O)NC1CC(O)C1.
What is the InChIKey of butyl N-(3-hydroxycyclobutyl)carbamate?
The InChIKey is NHCDKCAYARTQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-4-13-9(12)10-7-5-8(11)6-7/h7-8,11H,2-6H2,1H3,(H,10,12).
What are the key properties of butyl N-(3-hydroxycyclobutyl)carbamate?
butyl N-(3-hydroxycyclobutyl)carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(3-hydroxycyclobutyl)carbamate is sourced from PubChem (CID 90731053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).