2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid

C15H29NO5 — CID 155483674

IUPAC2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid
SMILESCOC(C(C)C)C(C(=O)O)C(C)(C)C(=O)OCCN(C)C
InChIInChI=1S/C15H29NO5/c1-10(2)12(20-7)11(13(17)18)15(3,4)14(19)21-9-8-16(5)6/h10-12H,8-9H2,1-7H3,(H,17,18)
InChIKeyKERQIBYKDWPXNA-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.49
Rot. Bonds9

About 2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid

2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid (PubChem CID 155483674) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid
PubChem CID155483674
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid
SMILESCOC(C(C)C)C(C(=O)O)C(C)(C)C(=O)OCCN(C)C
InChIInChI=1S/C15H29NO5/c1-10(2)12(20-7)11(13(17)18)15(3,4)14(19)21-9-8-16(5)6/h10-12H,8-9H2,1-7H3,(H,17,18)
InChIKeyKERQIBYKDWPXNA-UHFFFAOYSA-N
XLogP1.49
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid?
The IUPAC name of 2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid (CID 155483674) is 2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid is COC(C(C)C)C(C(=O)O)C(C)(C)C(=O)OCCN(C)C.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid?
The InChIKey is KERQIBYKDWPXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-10(2)12(20-7)11(13(17)18)15(3,4)14(19)21-9-8-16(5)6/h10-12H,8-9H2,1-7H3,(H,17,18).
What are the key properties of 2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid?
2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid has a molecular weight of 303.40 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethoxy]-2-methyl-1-oxopropan-2-yl]-3-methoxy-4-methylpentanoic acid is sourced from PubChem (CID 155483674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).