trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide

C10H19NO2 — CID 91143684

IUPACtrans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@@H]1[C@H](CO)C1(C)C
InChIInChI=1S/C10H19NO2/c1-6(2)11-9(13)8-7(5-12)10(8,3)4/h6-8,12H,5H2,1-4H3,(H,11,13)/t7-,8-/m0/s1
InChIKeyRQDGPUGIAJDVLJ-YUMQZZPRSA-N
MW185.27 g/mol
LogP0.78
Rot. Bonds3

About trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide

trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 91143684) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID91143684
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametrans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@@H]1[C@H](CO)C1(C)C
InChIInChI=1S/C10H19NO2/c1-6(2)11-9(13)8-7(5-12)10(8,3)4/h6-8,12H,5H2,1-4H3,(H,11,13)/t7-,8-/m0/s1
InChIKeyRQDGPUGIAJDVLJ-YUMQZZPRSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 91143684) is trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)NC(=O)[C@@H]1[C@H](CO)C1(C)C.
What is the InChIKey of trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is RQDGPUGIAJDVLJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(2)11-9(13)8-7(5-12)10(8,3)4/h6-8,12H,5H2,1-4H3,(H,11,13)/t7-,8-/m0/s1.
What are the key properties of trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 91143684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).