2-hydroxypropyl N-tert-butylcarbamate

C8H17NO3 — CID 90220528

IUPAC2-hydroxypropyl N-tert-butylcarbamate
SMILESCC(O)COC(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-6(10)5-12-7(11)9-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)
InChIKeyPKHQQCVMTCHZAK-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.89
Rot. Bonds2

About 2-hydroxypropyl N-tert-butylcarbamate

2-hydroxypropyl N-tert-butylcarbamate (PubChem CID 90220528) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-hydroxypropyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-hydroxypropyl N-tert-butylcarbamate
PubChem CID90220528
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-hydroxypropyl N-tert-butylcarbamate
SMILESCC(O)COC(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-6(10)5-12-7(11)9-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)
InChIKeyPKHQQCVMTCHZAK-UHFFFAOYSA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl N-tert-butylcarbamate?
The IUPAC name of 2-hydroxypropyl N-tert-butylcarbamate (CID 90220528) is 2-hydroxypropyl N-tert-butylcarbamate.
What is the SMILES notation for 2-hydroxypropyl N-tert-butylcarbamate?
The canonical SMILES for 2-hydroxypropyl N-tert-butylcarbamate is CC(O)COC(=O)NC(C)(C)C.
What is the InChIKey of 2-hydroxypropyl N-tert-butylcarbamate?
The InChIKey is PKHQQCVMTCHZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(10)5-12-7(11)9-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11).
What are the key properties of 2-hydroxypropyl N-tert-butylcarbamate?
2-hydroxypropyl N-tert-butylcarbamate has a molecular weight of 175.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl N-tert-butylcarbamate is sourced from PubChem (CID 90220528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).