(2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid

C11H20N2O5 — CID 71358024

IUPAC(2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
SMILESCC(=O)N[C@@H](CCC(=O)OCCN(C)C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-8(14)12-9(11(16)17)4-5-10(15)18-7-6-13(2)3/h9H,4-7H2,1-3H3,(H,12,14)(H,16,17)/t9-/m0/s1
InChIKeyPZRVJQRMKNHBQS-VIFPVBQESA-N
MW260.29 g/mol
LogP-0.54
Rot. Bonds8

About (2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid

(2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid (PubChem CID 71358024) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
PubChem CID71358024
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
SMILESCC(=O)N[C@@H](CCC(=O)OCCN(C)C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-8(14)12-9(11(16)17)4-5-10(15)18-7-6-13(2)3/h9H,4-7H2,1-3H3,(H,12,14)(H,16,17)/t9-/m0/s1
InChIKeyPZRVJQRMKNHBQS-VIFPVBQESA-N
XLogP-0.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid (CID 71358024) is (2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid is CC(=O)N[C@@H](CCC(=O)OCCN(C)C)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
The InChIKey is PZRVJQRMKNHBQS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O5/c1-8(14)12-9(11(16)17)4-5-10(15)18-7-6-13(2)3/h9H,4-7H2,1-3H3,(H,12,14)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
(2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid is sourced from PubChem (CID 71358024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).