(3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide

C12H21NO3 — CID 164640063

IUPAC(3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide
SMILESCOCC1(CNC(=O)[C@H]2CCOC2)CCC1
InChIInChI=1S/C12H21NO3/c1-15-9-12(4-2-5-12)8-13-11(14)10-3-6-16-7-10/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyHMTSLTFURJLSEU-JTQLQIEISA-N
MW227.30 g/mol
LogP0.96
Rot. Bonds5

About (3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide

(3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide (PubChem CID 164640063) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide
PubChem CID164640063
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide
SMILESCOCC1(CNC(=O)[C@H]2CCOC2)CCC1
InChIInChI=1S/C12H21NO3/c1-15-9-12(4-2-5-12)8-13-11(14)10-3-6-16-7-10/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyHMTSLTFURJLSEU-JTQLQIEISA-N
XLogP0.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide (CID 164640063) is (3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide is COCC1(CNC(=O)[C@H]2CCOC2)CCC1.
What is the InChIKey of (3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide?
The InChIKey is HMTSLTFURJLSEU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO3/c1-15-9-12(4-2-5-12)8-13-11(14)10-3-6-16-7-10/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide?
(3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 164640063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).