trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide

C8H15NO3 — CID 6712533

IUPACtrans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@H]1C[C@@]1(C)CO
InChIInChI=1S/C8H15NO3/c1-8(5-10)4-6(8)7(11)9(2)12-3/h6,10H,4-5H2,1-3H3/t6-,8+/m1/s1
InChIKeyBIDYYUFGTFYOGK-SVRRBLITSA-N
MW173.21 g/mol
LogP0.02
Rot. Bonds3

About trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide

trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 6712533) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID6712533
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nametrans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@H]1C[C@@]1(C)CO
InChIInChI=1S/C8H15NO3/c1-8(5-10)4-6(8)7(11)9(2)12-3/h6,10H,4-5H2,1-3H3/t6-,8+/m1/s1
InChIKeyBIDYYUFGTFYOGK-SVRRBLITSA-N
XLogP0.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide (CID 6712533) is trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide is CON(C)C(=O)[C@H]1C[C@@]1(C)CO.
What is the InChIKey of trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is BIDYYUFGTFYOGK-SVRRBLITSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(5-10)4-6(8)7(11)9(2)12-3/h6,10H,4-5H2,1-3H3/t6-,8+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide?
trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 173.21 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 6712533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).