N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide

C10H19NO4 — CID 107390241

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide
SMILESCC1(C)OCC(CNC(=O)CCCO)O1
InChIInChI=1S/C10H19NO4/c1-10(2)14-7-8(15-10)6-11-9(13)4-3-5-12/h8,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyDDYLZFUSVLSHCJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.03
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide (PubChem CID 107390241) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide
PubChem CID107390241
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide
SMILESCC1(C)OCC(CNC(=O)CCCO)O1
InChIInChI=1S/C10H19NO4/c1-10(2)14-7-8(15-10)6-11-9(13)4-3-5-12/h8,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyDDYLZFUSVLSHCJ-UHFFFAOYSA-N
XLogP0.03
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid
CID 107388957
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-oxohexanoic acid
CID 107388938
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide
CID 107389320
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(oxan-2-yl)propanamide
CID 103800478
3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
CID 107389487
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethoxyacetamide
CID 103762450
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944437
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 103800552
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
CID 103800989
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide
CID 103762487
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide
CID 107389460
2-bromo-N,N'-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanediamide
CID 22369352

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide (CID 107390241) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide is CC1(C)OCC(CNC(=O)CCCO)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide?
The InChIKey is DDYLZFUSVLSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2)14-7-8(15-10)6-11-9(13)4-3-5-12/h8,12H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide has a molecular weight of 217.26 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide is sourced from PubChem (CID 107390241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).