tert-butyl N-(4-hydroxybutyl)carbamate

C9H19NO3 — CID 545141

IUPACtert-butyl N-(4-hydroxybutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCO
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyLIYMTLVBAVHPBU-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.28
Rot. Bonds4

About tert-butyl N-(4-hydroxybutyl)carbamate

tert-butyl N-(4-hydroxybutyl)carbamate (PubChem CID 545141) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxybutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxybutyl)carbamate
PubChem CID545141
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl N-(4-hydroxybutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCO
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyLIYMTLVBAVHPBU-UHFFFAOYSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.28
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 tert-butyl N-(4-hydroxybutyl)carbamate?
The IUPAC name of tert-butyl N-(4-hydroxybutyl)carbamate (CID 545141) is tert-butyl N-(4-hydroxybutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxybutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxybutyl)carbamate is CC(C)(C)OC(=O)NCCCCO.
What is the InChIKey of tert-butyl N-(4-hydroxybutyl)carbamate?
The InChIKey is LIYMTLVBAVHPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl N-(4-hydroxybutyl)carbamate?
tert-butyl N-(4-hydroxybutyl)carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxybutyl)carbamate is sourced from PubChem (CID 545141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).