3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide

C9H18N2O4 — CID 106172154

IUPAC3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide
SMILESCC1(C)OCC(NCC(O)C(N)=O)CO1
InChIInChI=1S/C9H18N2O4/c1-9(2)14-4-6(5-15-9)11-3-7(12)8(10)13/h6-7,11-12H,3-5H2,1-2H3,(H2,10,13)
InChIKeyXRFHGVCBDVUNKX-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.43
Rot. Bonds4

About 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide

3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide (PubChem CID 106172154) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide
PubChem CID106172154
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide
SMILESCC1(C)OCC(NCC(O)C(N)=O)CO1
InChIInChI=1S/C9H18N2O4/c1-9(2)14-4-6(5-15-9)11-3-7(12)8(10)13/h6-7,11-12H,3-5H2,1-2H3,(H2,10,13)
InChIKeyXRFHGVCBDVUNKX-UHFFFAOYSA-N
XLogP-1.43
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide (CID 106172154) is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide is CC1(C)OCC(NCC(O)C(N)=O)CO1.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide?
The InChIKey is XRFHGVCBDVUNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2)14-4-6(5-15-9)11-3-7(12)8(10)13/h6-7,11-12H,3-5H2,1-2H3,(H2,10,13).
What are the key properties of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide?
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide has a molecular weight of 218.25 g/mol, XLogP of -1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106172154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).