2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid

C19H35NO7 — CID 88938000

IUPAC2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid
SMILESCC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(C(=O)O)C(O)C(C)(C)C
InChIInChI=1S/C19H35NO7/c1-17(2,3)15(23)14(16(24)25)20(10-12(21)26-18(4,5)6)11-13(22)27-19(7,8)9/h14-15,23H,10-11H2,1-9H3,(H,24,25)
InChIKeyGFTFYPLGVZGAHW-UHFFFAOYSA-N
MW389.49 g/mol
LogP1.83
Rot. Bonds7

About 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid

2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid (PubChem CID 88938000) has the molecular formula C19H35NO7 and a molecular weight of 389.49 g/mol. Its IUPAC name is 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid
PubChem CID88938000
Molecular FormulaC19H35NO7
Molecular Weight389.49 g/mol
Exact Mass389.24
IUPAC Name2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid
SMILESCC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(C(=O)O)C(O)C(C)(C)C
InChIInChI=1S/C19H35NO7/c1-17(2,3)15(23)14(16(24)25)20(10-12(21)26-18(4,5)6)11-13(22)27-19(7,8)9/h14-15,23H,10-11H2,1-9H3,(H,24,25)
InChIKeyGFTFYPLGVZGAHW-UHFFFAOYSA-N
XLogP1.83
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid (CID 88938000) is 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid is CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(C(=O)O)C(O)C(C)(C)C.
What is the InChIKey of 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid?
The InChIKey is GFTFYPLGVZGAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO7/c1-17(2,3)15(23)14(16(24)25)20(10-12(21)26-18(4,5)6)11-13(22)27-19(7,8)9/h14-15,23H,10-11H2,1-9H3,(H,24,25).
What are the key properties of 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid?
2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid has a molecular weight of 389.49 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid is sourced from PubChem (CID 88938000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).