N-tert-butyl-3-hydroxypyrrolidine-1-carboxamide

C9H18N2O2 — CID 19600289

IUPACN-tert-butyl-3-hydroxypyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(O)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)10-8(13)11-5-4-7(12)6-11/h7,12H,4-6H2,1-3H3,(H,10,13)
InChIKeySLXDAZNKRUWYDW-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.56
Rot. Bonds

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

N-tert-butyl-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 19600289) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-tert-butyl-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-hydroxypyrrolidine-1-carboxamide
PubChem CID19600289
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-tert-butyl-3-hydroxypyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(O)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)10-8(13)11-5-4-7(12)6-11/h7,12H,4-6H2,1-3H3,(H,10,13)
InChIKeySLXDAZNKRUWYDW-UHFFFAOYSA-N
XLogP0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.56
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-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-hydroxypyrrolidine-1-carboxamide (CID 19600289) is N-tert-butyl-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-hydroxypyrrolidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(O)C1.
What is the InChIKey of N-tert-butyl-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is SLXDAZNKRUWYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)10-8(13)11-5-4-7(12)6-11/h7,12H,4-6H2,1-3H3,(H,10,13).
What are the key properties of N-tert-butyl-3-hydroxypyrrolidine-1-carboxamide?
N-tert-butyl-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 19600289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).