2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid

C7H14N2O5 — CID 103156723

IUPAC2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid
SMILESCOC(CN)CC(=O)NOCC(=O)O
InChIInChI=1S/C7H14N2O5/c1-13-5(3-8)2-6(10)9-14-4-7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyVSFQZNUYVGVURI-UHFFFAOYSA-N
MW206.20 g/mol
LogP-1.52
Rot. Bonds7

About 2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid

2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid (PubChem CID 103156723) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid
PubChem CID103156723
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid
SMILESCOC(CN)CC(=O)NOCC(=O)O
InChIInChI=1S/C7H14N2O5/c1-13-5(3-8)2-6(10)9-14-4-7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyVSFQZNUYVGVURI-UHFFFAOYSA-N
XLogP-1.52
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
2-(3,5,5-trimethylhexanoylamino)oxyacetic acid
CID 63912304
(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155444
2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155386
(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-5-methylhexanoic acid
CID 103156074
4-amino-N-but-2-ynyl-3-methoxybutanamide
CID 103156644
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide
CID 103155472
4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 103155915
2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid
CID 103155791
4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
CID 103155921

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid (CID 103156723) is 2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid is COC(CN)CC(=O)NOCC(=O)O.
What is the InChIKey of 2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid?
The InChIKey is VSFQZNUYVGVURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-13-5(3-8)2-6(10)9-14-4-7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid?
2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid has a molecular weight of 206.20 g/mol, XLogP of -1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid is sourced from PubChem (CID 103156723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).