(2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide

C12H20N2O3 — CID 129399477

IUPAC(2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide
SMILESCC(=O)N1CC(NC(=O)[C@H]2CCCO[C@@H]2C)C1
InChIInChI=1S/C12H20N2O3/c1-8-11(4-3-5-17-8)12(16)13-10-6-14(7-10)9(2)15/h8,10-11H,3-7H2,1-2H3,(H,13,16)/t8-,11+/m1/s1
InChIKeyYOMKUOMNNHOJNQ-KCJUWKMLSA-N
MW240.30 g/mol
LogP0.15
Rot. Bonds2

About (2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide

(2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide (PubChem CID 129399477) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide
PubChem CID129399477
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide
SMILESCC(=O)N1CC(NC(=O)[C@H]2CCCO[C@@H]2C)C1
InChIInChI=1S/C12H20N2O3/c1-8-11(4-3-5-17-8)12(16)13-10-6-14(7-10)9(2)15/h8,10-11H,3-7H2,1-2H3,(H,13,16)/t8-,11+/m1/s1
InChIKeyYOMKUOMNNHOJNQ-KCJUWKMLSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide
CID 130892243
(2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 128984585
2-methyl-N-[(3R)-pyrrolidin-3-yl]oxolane-3-carboxamide
CID 79763327
2-methyl-N-(2-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 106995532
2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide
CID 79759873
2-methyl-N-(5-methylpiperidin-3-yl)oxolane-3-carboxamide
CID 107585114
1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone
CID 115893973
2-(4-acetylpiperazine-1-carbonyl)-N-cyclopentylcyclopropane-1-carboxamide
CID 109131999
N-(1-acetylpyrrolidin-3-yl)cyclopentanecarboxamide
CID 110871331
2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide
CID 138043861
N-(1-acetylazetidin-3-yl)prop-2-enamide
CID 131086103
N-(2-methyloxolan-3-yl)azetidine-1-carboxamide
CID 126999523

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide?
The IUPAC name of (2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide (CID 129399477) is (2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide is CC(=O)N1CC(NC(=O)[C@H]2CCCO[C@@H]2C)C1.
What is the InChIKey of (2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide?
The InChIKey is YOMKUOMNNHOJNQ-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-11(4-3-5-17-8)12(16)13-10-6-14(7-10)9(2)15/h8,10-11H,3-7H2,1-2H3,(H,13,16)/t8-,11+/m1/s1.
What are the key properties of (2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide?
(2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide is sourced from PubChem (CID 129399477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).