3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid

C10H20N2O4 — CID 107201708

IUPAC3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
SMILESCN(CCCCCO)C(=O)NCCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-12(7-3-2-4-8-13)10(16)11-6-5-9(14)15/h13H,2-8H2,1H3,(H,11,16)(H,14,15)
InChIKeyPJYJFIOKUDEBTA-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.27
Rot. Bonds8

About 3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid

3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid (PubChem CID 107201708) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
PubChem CID107201708
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
SMILESCN(CCCCCO)C(=O)NCCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-12(7-3-2-4-8-13)10(16)11-6-5-9(14)15/h13H,2-8H2,1H3,(H,11,16)(H,14,15)
InChIKeyPJYJFIOKUDEBTA-UHFFFAOYSA-N
XLogP0.27
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
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 3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid (CID 107201708) is 3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid is CN(CCCCCO)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid?
The InChIKey is PJYJFIOKUDEBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-12(7-3-2-4-8-13)10(16)11-6-5-9(14)15/h13H,2-8H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid?
3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 107201708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).