N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide

C9H17NO3 — CID 102159314

IUPACN-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide
SMILESCO[C@H](NC(C)=O)[C@@H]1CCCCO1
InChIInChI=1S/C9H17NO3/c1-7(11)10-9(12-2)8-5-3-4-6-13-8/h8-9H,3-6H2,1-2H3,(H,10,11)/t8-,9-/m0/s1
InChIKeyZATBUPGXRGZPKX-IUCAKERBSA-N
MW187.24 g/mol
LogP0.66
Rot. Bonds3

About N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide

N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide (PubChem CID 102159314) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide
PubChem CID102159314
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide
SMILESCO[C@H](NC(C)=O)[C@@H]1CCCCO1
InChIInChI=1S/C9H17NO3/c1-7(11)10-9(12-2)8-5-3-4-6-13-8/h8-9H,3-6H2,1-2H3,(H,10,11)/t8-,9-/m0/s1
InChIKeyZATBUPGXRGZPKX-IUCAKERBSA-N
XLogP0.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide?
The IUPAC name of N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide (CID 102159314) is N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide?
The canonical SMILES for N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide is CO[C@H](NC(C)=O)[C@@H]1CCCCO1.
What is the InChIKey of N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide?
The InChIKey is ZATBUPGXRGZPKX-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(11)10-9(12-2)8-5-3-4-6-13-8/h8-9H,3-6H2,1-2H3,(H,10,11)/t8-,9-/m0/s1.
What are the key properties of N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide?
N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide has a molecular weight of 187.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 102159314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).