3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid

C12H24N2O4 — CID 122181579

IUPAC3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid
SMILESCCCCN(C)CCCC(=O)N(O)CCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-3-4-8-13(2)9-5-6-11(15)14(18)10-7-12(16)17/h18H,3-10H2,1-2H3,(H,16,17)
InChIKeyNCTWZFRBBLWFMB-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.19
Rot. Bonds10

About 3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid

3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid (PubChem CID 122181579) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid.

Molecular Properties

Compound Name3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid
PubChem CID122181579
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid
SMILESCCCCN(C)CCCC(=O)N(O)CCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-3-4-8-13(2)9-5-6-11(15)14(18)10-7-12(16)17/h18H,3-10H2,1-2H3,(H,16,17)
InChIKeyNCTWZFRBBLWFMB-UHFFFAOYSA-N
XLogP1.19
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid?
The IUPAC name of 3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid (CID 122181579) is 3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid.
What is the SMILES notation for 3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid?
The canonical SMILES for 3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid is CCCCN(C)CCCC(=O)N(O)CCC(=O)O.
What is the InChIKey of 3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid?
The InChIKey is NCTWZFRBBLWFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-3-4-8-13(2)9-5-6-11(15)14(18)10-7-12(16)17/h18H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid?
3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid is sourced from PubChem (CID 122181579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).