(2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid

C10H17NO6 — CID 103018649

IUPAC(2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)C(C)(C)OC)C(=O)O
InChIInChI=1S/C10H17NO6/c1-10(2,17-4)9(15)11-6(8(13)14)5-7(12)16-3/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m0/s1
InChIKeyNTKIZWATRDZSBN-LURJTMIESA-N
MW247.25 g/mol
LogP-0.46
Rot. Bonds6

About (2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid

(2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid (PubChem CID 103018649) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid
PubChem CID103018649
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name(2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)C(C)(C)OC)C(=O)O
InChIInChI=1S/C10H17NO6/c1-10(2,17-4)9(15)11-6(8(13)14)5-7(12)16-3/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m0/s1
InChIKeyNTKIZWATRDZSBN-LURJTMIESA-N
XLogP-0.46
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid (CID 103018649) is (2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid is COC(=O)C[C@H](NC(=O)C(C)(C)OC)C(=O)O.
What is the InChIKey of (2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid?
The InChIKey is NTKIZWATRDZSBN-LURJTMIESA-N. The full InChI is InChI=1S/C10H17NO6/c1-10(2,17-4)9(15)11-6(8(13)14)5-7(12)16-3/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid?
(2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid has a molecular weight of 247.25 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 103018649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).