2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid

C6H11NO4 — CID 177186072

IUPAC2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid
SMILESCC(C)(OCC(=O)O)C(N)=O
InChIInChI=1S/C6H11NO4/c1-6(2,5(7)10)11-3-4(8)9/h3H2,1-2H3,(H2,7,10)(H,8,9)
InChIKeyQAHCSLVZLAFUSP-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.65
Rot. Bonds4

About 2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid

2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid (PubChem CID 177186072) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid
PubChem CID177186072
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid
SMILESCC(C)(OCC(=O)O)C(N)=O
InChIInChI=1S/C6H11NO4/c1-6(2,5(7)10)11-3-4(8)9/h3H2,1-2H3,(H2,7,10)(H,8,9)
InChIKeyQAHCSLVZLAFUSP-UHFFFAOYSA-N
XLogP-0.65
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid?
The IUPAC name of 2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid (CID 177186072) is 2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid?
The canonical SMILES for 2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid is CC(C)(OCC(=O)O)C(N)=O.
What is the InChIKey of 2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid?
The InChIKey is QAHCSLVZLAFUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-6(2,5(7)10)11-3-4(8)9/h3H2,1-2H3,(H2,7,10)(H,8,9).
What are the key properties of 2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid?
2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid has a molecular weight of 161.16 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid is sourced from PubChem (CID 177186072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).