(2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C11H19NO5 — CID 7019606

IUPAC(2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H19NO5/c1-7(13)12-8(10(15)16)5-6-9(14)17-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)(H,15,16)/t8-/m0/s1
InChIKeyFALCCLKESWGSNI-QMMMGPOBSA-N
MW245.27 g/mol
LogP0.70
Rot. Bonds5

About (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

(2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 7019606) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID7019606
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H19NO5/c1-7(13)12-8(10(15)16)5-6-9(14)17-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)(H,15,16)/t8-/m0/s1
InChIKeyFALCCLKESWGSNI-QMMMGPOBSA-N
XLogP0.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 7019606) is (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is FALCCLKESWGSNI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO5/c1-7(13)12-8(10(15)16)5-6-9(14)17-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
(2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 7019606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).