tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate

C11H23NO3 — CID 11701316

IUPACtert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate
SMILESCCC[C@@H](CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-6-9(8-13)7-12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)/t9-/m1/s1
InChIKeyNCUWUXHKDDKETL-SECBINFHSA-N
MW217.31 g/mol
LogP1.92
Rot. Bonds5

About tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate

tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate (PubChem CID 11701316) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate
PubChem CID11701316
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate
SMILESCCC[C@@H](CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-6-9(8-13)7-12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)/t9-/m1/s1
InChIKeyNCUWUXHKDDKETL-SECBINFHSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate (CID 11701316) is tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate is CCC[C@@H](CO)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate?
The InChIKey is NCUWUXHKDDKETL-SECBINFHSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-6-9(8-13)7-12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate?
tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate has a molecular weight of 217.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-(hydroxymethyl)pentyl]carbamate is sourced from PubChem (CID 11701316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).