5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid

C11H19NO5 — CID 107388957

IUPAC5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid
SMILESCC1(C)OCC(CNC(=O)CCCC(=O)O)O1
InChIInChI=1S/C11H19NO5/c1-11(2)16-7-8(17-11)6-12-9(13)4-3-5-10(14)15/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZVTNDCQVCNYQIK-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.51
Rot. Bonds6

About 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid

5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid (PubChem CID 107388957) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid
PubChem CID107388957
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid
SMILESCC1(C)OCC(CNC(=O)CCCC(=O)O)O1
InChIInChI=1S/C11H19NO5/c1-11(2)16-7-8(17-11)6-12-9(13)4-3-5-10(14)15/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZVTNDCQVCNYQIK-UHFFFAOYSA-N
XLogP0.51
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-hydroxybutanamide
CID 107390241
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide
CID 107389320
5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid
CID 102548386
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(oxan-2-yl)propanamide
CID 103800478
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethoxyacetamide
CID 103762450
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-[(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-piperidin-3-ylpropanamide
CID 107389460
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide
CID 103762487

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid (CID 107388957) is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid is CC1(C)OCC(CNC(=O)CCCC(=O)O)O1.
What is the InChIKey of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is ZVTNDCQVCNYQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2)16-7-8(17-11)6-12-9(13)4-3-5-10(14)15/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid?
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107388957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).