2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid

C14H27NO3 — CID 64526820

IUPAC2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid
SMILESCCN(CC)C1(CC(=O)O)CCOC(C(C)C)C1
InChIInChI=1S/C14H27NO3/c1-5-15(6-2)14(10-13(16)17)7-8-18-12(9-14)11(3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyUISHFOKCWFKROA-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.38
Rot. Bonds6

About 2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid

2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid (PubChem CID 64526820) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid
PubChem CID64526820
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid
SMILESCCN(CC)C1(CC(=O)O)CCOC(C(C)C)C1
InChIInChI=1S/C14H27NO3/c1-5-15(6-2)14(10-13(16)17)7-8-18-12(9-14)11(3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyUISHFOKCWFKROA-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid?
The IUPAC name of 2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid (CID 64526820) is 2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid is CCN(CC)C1(CC(=O)O)CCOC(C(C)C)C1.
What is the InChIKey of 2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid?
The InChIKey is UISHFOKCWFKROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-15(6-2)14(10-13(16)17)7-8-18-12(9-14)11(3)4/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid?
2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid has a molecular weight of 257.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-propan-2-yloxan-4-yl]acetic acid is sourced from PubChem (CID 64526820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).