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

C9H17NO4 — CID 7010573

IUPAC(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-7(11)5-4-6(10)8(12)13/h6H,4-5,10H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyOIOAKXPMBIZAHL-LURJTMIESA-N
MW203.24 g/mol
LogP0.52
Rot. Bonds4

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

(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 7010573) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID7010573
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-7(11)5-4-6(10)8(12)13/h6H,4-5,10H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyOIOAKXPMBIZAHL-LURJTMIESA-N
XLogP0.52
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 7010573) is (2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(C)(C)OC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is OIOAKXPMBIZAHL-LURJTMIESA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)14-7(11)5-4-6(10)8(12)13/h6H,4-5,10H2,1-3H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 7010573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).