N-tert-butyl-3-hydroxycyclobutane-1-carboxamide

C9H17NO2 — CID 55274185

IUPACN-tert-butyl-3-hydroxycyclobutane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(O)C1
InChIInChI=1S/C9H17NO2/c1-9(2,3)10-8(12)6-4-7(11)5-6/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyTUYGRZCKIDRFGO-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds1

About N-tert-butyl-3-hydroxycyclobutane-1-carboxamide

N-tert-butyl-3-hydroxycyclobutane-1-carboxamide (PubChem CID 55274185) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-tert-butyl-3-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-hydroxycyclobutane-1-carboxamide
PubChem CID55274185
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-tert-butyl-3-hydroxycyclobutane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(O)C1
InChIInChI=1S/C9H17NO2/c1-9(2,3)10-8(12)6-4-7(11)5-6/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyTUYGRZCKIDRFGO-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-hydroxycyclobutane-1-carboxamide?
The IUPAC name of N-tert-butyl-3-hydroxycyclobutane-1-carboxamide (CID 55274185) is N-tert-butyl-3-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-hydroxycyclobutane-1-carboxamide is CC(C)(C)NC(=O)C1CC(O)C1.
What is the InChIKey of N-tert-butyl-3-hydroxycyclobutane-1-carboxamide?
The InChIKey is TUYGRZCKIDRFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)10-8(12)6-4-7(11)5-6/h6-7,11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N-tert-butyl-3-hydroxycyclobutane-1-carboxamide?
N-tert-butyl-3-hydroxycyclobutane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 55274185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).