tert-butyl N-(3-hydroxypropyl)carbamate

C8H17NO3 — CID 3838134

IUPACtert-butyl N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCO
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11)
InChIKeyXDJCYKMWJCYQJM-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.89
Rot. Bonds3

About tert-butyl N-(3-hydroxypropyl)carbamate

tert-butyl N-(3-hydroxypropyl)carbamate (PubChem CID 3838134) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxypropyl)carbamate
PubChem CID3838134
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametert-butyl N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCO
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11)
InChIKeyXDJCYKMWJCYQJM-UHFFFAOYSA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.89
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-(3-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxypropyl)carbamate (CID 3838134) is tert-butyl N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxypropyl)carbamate is CC(C)(C)OC(=O)NCCCO.
What is the InChIKey of tert-butyl N-(3-hydroxypropyl)carbamate?
The InChIKey is XDJCYKMWJCYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11).
What are the key properties of tert-butyl N-(3-hydroxypropyl)carbamate?
tert-butyl N-(3-hydroxypropyl)carbamate has a molecular weight of 175.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 3838134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).