(4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C11H21NO4 — CID 171689522

IUPAC(4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCN(C)[C@H](CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)8(12(4)5)6-7-9(13)14/h8H,6-7H2,1-5H3,(H,13,14)/t8-/m1/s1
InChIKeyIWUZQHXKVTYZPQ-MRVPVSSYSA-N
MW231.29 g/mol
LogP1.12
Rot. Bonds5

About (4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

(4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 171689522) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID171689522
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCN(C)[C@H](CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)8(12(4)5)6-7-9(13)14/h8H,6-7H2,1-5H3,(H,13,14)/t8-/m1/s1
InChIKeyIWUZQHXKVTYZPQ-MRVPVSSYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of (4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 171689522) is (4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for (4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for (4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CN(C)[C@H](CCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of (4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is IWUZQHXKVTYZPQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)8(12(4)5)6-7-9(13)14/h8H,6-7H2,1-5H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
(4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 171689522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).