2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid

C6H12N2O4 — CID 104867447

IUPAC2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid
SMILESCC[C@H](N)C(=O)NOCC(=O)O
InChIInChI=1S/C6H12N2O4/c1-2-4(7)6(11)8-12-3-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKeyAXFMAGOOYZSUQH-BYPYZUCNSA-N
MW176.17 g/mol
LogP-1.14
Rot. Bonds5

About 2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid

2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid (PubChem CID 104867447) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid
PubChem CID104867447
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid
SMILESCC[C@H](N)C(=O)NOCC(=O)O
InChIInChI=1S/C6H12N2O4/c1-2-4(7)6(11)8-12-3-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKeyAXFMAGOOYZSUQH-BYPYZUCNSA-N
XLogP-1.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid?
The IUPAC name of 2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid (CID 104867447) is 2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid is CC[C@H](N)C(=O)NOCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid?
The InChIKey is AXFMAGOOYZSUQH-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-2-4(7)6(11)8-12-3-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid?
2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid has a molecular weight of 176.17 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid is sourced from PubChem (CID 104867447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).