trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide

C11H20N2O3 — CID 99629963

IUPACtrans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)[C@H]1CCCC[C@@H]1NCC1OCCO1
InChIInChI=1S/C11H20N2O3/c12-11(14)8-3-1-2-4-9(8)13-7-10-15-5-6-16-10/h8-10,13H,1-7H2,(H2,12,14)/t8-,9-/m0/s1
InChIKeyCFIYMDHAAIQQPG-IUCAKERBSA-N
MW228.29 g/mol
LogP-0.01
Rot. Bonds4

About trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide

trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide (PubChem CID 99629963) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide
PubChem CID99629963
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametrans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)[C@H]1CCCC[C@@H]1NCC1OCCO1
InChIInChI=1S/C11H20N2O3/c12-11(14)8-3-1-2-4-9(8)13-7-10-15-5-6-16-10/h8-10,13H,1-7H2,(H2,12,14)/t8-,9-/m0/s1
InChIKeyCFIYMDHAAIQQPG-IUCAKERBSA-N
XLogP-0.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide (CID 99629963) is trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide is NC(=O)[C@H]1CCCC[C@@H]1NCC1OCCO1.
What is the InChIKey of trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide?
The InChIKey is CFIYMDHAAIQQPG-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-11(14)8-3-1-2-4-9(8)13-7-10-15-5-6-16-10/h8-10,13H,1-7H2,(H2,12,14)/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide?
trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1,3-dioxolan-2-ylmethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 99629963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).