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

C9H17NO4 — CID 57158433

IUPAC4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid
SMILESCC(C)(C)ON(C=O)CCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-10(7-11)6-4-5-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyCNVNQKACJRXAIO-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.04
Rot. Bonds6

About 4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid

4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid (PubChem CID 57158433) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid.

Molecular Properties

Compound Name4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid
PubChem CID57158433
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid
SMILESCC(C)(C)ON(C=O)CCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-10(7-11)6-4-5-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyCNVNQKACJRXAIO-UHFFFAOYSA-N
XLogP1.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.04
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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Frequently Asked Questions

What is the IUPAC name of 4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid?
The IUPAC name of 4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid (CID 57158433) is 4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid.
What is the SMILES notation for 4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid?
The canonical SMILES for 4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid is CC(C)(C)ON(C=O)CCCC(=O)O.
What is the InChIKey of 4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid?
The InChIKey is CNVNQKACJRXAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)14-10(7-11)6-4-5-8(12)13/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid?
4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid is sourced from PubChem (CID 57158433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).