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

C10H19NO4 — CID 112601955

IUPAC4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
SMILESCC(C)(C)OCC(=O)NCCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-7-8(12)11-6-4-5-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyKDVQLKULJZVYNS-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds6

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

4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid (PubChem CID 112601955) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
PubChem CID112601955
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
SMILESCC(C)(C)OCC(=O)NCCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-7-8(12)11-6-4-5-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyKDVQLKULJZVYNS-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid (CID 112601955) is 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid is CC(C)(C)OCC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid?
The InChIKey is KDVQLKULJZVYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-7-8(12)11-6-4-5-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid?
4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid is sourced from PubChem (CID 112601955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).