(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide

C8H14N2O2 — CID 104856358

IUPAC(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
SMILESO=C(NC1CNC1)[C@@H]1CCCO1
InChIInChI=1S/C8H14N2O2/c11-8(7-2-1-3-12-7)10-6-4-9-5-6/h6-7,9H,1-5H2,(H,10,11)/t7-/m0/s1
InChIKeyBHVGFUJQNVXGPA-ZETCQYMHSA-N
MW170.21 g/mol
LogP-0.75
Rot. Bonds2

About (2S)-N-(azetidin-3-yl)oxolane-2-carboxamide

(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide (PubChem CID 104856358) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2S)-N-(azetidin-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
PubChem CID104856358
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
SMILESO=C(NC1CNC1)[C@@H]1CCCO1
InChIInChI=1S/C8H14N2O2/c11-8(7-2-1-3-12-7)10-6-4-9-5-6/h6-7,9H,1-5H2,(H,10,11)/t7-/m0/s1
InChIKeyBHVGFUJQNVXGPA-ZETCQYMHSA-N
XLogP-0.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
N-[(3R)-pyrrolidin-3-yl]oxane-2-carboxamide
CID 79689498
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide
CID 67099288
N-(oxan-4-yl)oxolane-2-carboxamide
CID 110726803
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
N-(5-methylpyrrolidin-3-yl)oxolane-2-carboxamide
CID 131057678
3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032104
(2S)-N-cyclopentylmorpholine-2-carboxamide
CID 92614945
N-(4-bromocyclohexyl)oxane-2-carboxamide
CID 114308956

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(azetidin-3-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(azetidin-3-yl)oxolane-2-carboxamide (CID 104856358) is (2S)-N-(azetidin-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(azetidin-3-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(azetidin-3-yl)oxolane-2-carboxamide is O=C(NC1CNC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(azetidin-3-yl)oxolane-2-carboxamide?
The InChIKey is BHVGFUJQNVXGPA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-8(7-2-1-3-12-7)10-6-4-9-5-6/h6-7,9H,1-5H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-N-(azetidin-3-yl)oxolane-2-carboxamide?
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(azetidin-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 104856358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).