2-(2-methylpropanoylamino)oxyacetic acid

C6H11NO4 — CID 60668072

IUPAC2-(2-methylpropanoylamino)oxyacetic acid
SMILESCC(C)C(=O)NOCC(=O)O
InChIInChI=1S/C6H11NO4/c1-4(2)6(10)7-11-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyMCNACKBWVFTJMN-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.23
Rot. Bonds4

About 2-(2-methylpropanoylamino)oxyacetic acid

2-(2-methylpropanoylamino)oxyacetic acid (PubChem CID 60668072) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)oxyacetic acid
PubChem CID60668072
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-(2-methylpropanoylamino)oxyacetic acid
SMILESCC(C)C(=O)NOCC(=O)O
InChIInChI=1S/C6H11NO4/c1-4(2)6(10)7-11-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyMCNACKBWVFTJMN-UHFFFAOYSA-N
XLogP-0.23
TPSA75.63 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 ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,2-difluoroacetyl)amino]oxyacetic acid
CID 103513309
2-[[(2R)-2-aminobutanoyl]amino]oxyacetic acid
CID 104867444
N-ethoxy-2-methylpropanamide
CID 60717901
2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid
CID 107570675
2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid
CID 63929707
N-(2-methoxyethoxy)-2-methylpropanamide
CID 58861228
2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid
CID 103309195
2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid
CID 59170330
N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide
CID 130438480
2-(ethoxycarbonylamino)oxyacetic acid
CID 60661243
2-(ethylcarbamoylamino)oxyacetic acid
CID 53397416
2-(3,5,5-trimethylhexanoylamino)oxyacetic acid
CID 63912304

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)oxyacetic acid?
The IUPAC name of 2-(2-methylpropanoylamino)oxyacetic acid (CID 60668072) is 2-(2-methylpropanoylamino)oxyacetic acid.
What is the SMILES notation for 2-(2-methylpropanoylamino)oxyacetic acid?
The canonical SMILES for 2-(2-methylpropanoylamino)oxyacetic acid is CC(C)C(=O)NOCC(=O)O.
What is the InChIKey of 2-(2-methylpropanoylamino)oxyacetic acid?
The InChIKey is MCNACKBWVFTJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(2)6(10)7-11-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9).
What are the key properties of 2-(2-methylpropanoylamino)oxyacetic acid?
2-(2-methylpropanoylamino)oxyacetic acid has a molecular weight of 161.16 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)oxyacetic acid is sourced from PubChem (CID 60668072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).