(2S)-N-tert-butyloxolane-2-carboxamide

C9H17NO2 — CID 40569734

IUPAC(2S)-N-tert-butyloxolane-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C9H17NO2/c1-9(2,3)10-8(11)7-5-4-6-12-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyXMADDKODZMPPDH-ZETCQYMHSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds1

About (2S)-N-tert-butyloxolane-2-carboxamide

(2S)-N-tert-butyloxolane-2-carboxamide (PubChem CID 40569734) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-N-tert-butyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyloxolane-2-carboxamide
PubChem CID40569734
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S)-N-tert-butyloxolane-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C9H17NO2/c1-9(2,3)10-8(11)7-5-4-6-12-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyXMADDKODZMPPDH-ZETCQYMHSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-tert-butyloxolane-2-carboxamide (CID 40569734) is (2S)-N-tert-butyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-tert-butyloxolane-2-carboxamide is CC(C)(C)NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-tert-butyloxolane-2-carboxamide?
The InChIKey is XMADDKODZMPPDH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)10-8(11)7-5-4-6-12-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-N-tert-butyloxolane-2-carboxamide?
(2S)-N-tert-butyloxolane-2-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyloxolane-2-carboxamide is sourced from PubChem (CID 40569734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).