2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid

C8H15NO4 — CID 22908716

IUPAC2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid
SMILESCC(C(=O)O)N(C=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4/c1-6(7(11)12)9(5-10)13-8(2,3)4/h5-6H,1-4H3,(H,11,12)
InChIKeyIGXNHGWZYVIZBZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.65
Rot. Bonds4

About 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid

2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid (PubChem CID 22908716) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid.

Molecular Properties

Compound Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid
PubChem CID22908716
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid
SMILESCC(C(=O)O)N(C=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4/c1-6(7(11)12)9(5-10)13-8(2,3)4/h5-6H,1-4H3,(H,11,12)
InChIKeyIGXNHGWZYVIZBZ-UHFFFAOYSA-N
XLogP0.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid
CID 57286446
(2S)-2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-methoxy-5-oxopentanoic acid
CID 174690842
(2S)-2-[formyl(hydroxy)amino]propanoic acid
CID 6336523
(2S)-2-[formyl(propan-2-yl)amino]propanoic acid
CID 139496454
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 90945491
tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate
CID 88706871
2-[(2-methoxy-2-methylpropyl)sulfonyl-methylamino]propanoic acid
CID 122068997
(4S)-5-(benzenesulfonamido)-4-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxopentanoic acid
CID 89346673
3-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid
CID 21306999
(2R)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 10495701
(2S)-2-[[(2S)-3-methylbutan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 90464738
N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 56989822

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid?
The IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid (CID 22908716) is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid.
What is the SMILES notation for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid?
The canonical SMILES for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid is CC(C(=O)O)N(C=O)OC(C)(C)C.
What is the InChIKey of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid?
The InChIKey is IGXNHGWZYVIZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(7(11)12)9(5-10)13-8(2,3)4/h5-6H,1-4H3,(H,11,12).
What are the key properties of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid?
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid is sourced from PubChem (CID 22908716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).