N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid

C8H16N2O6 — CID 88516904

IUPACN-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid
SMILESCC(O)C(=O)NCCCN.O=C(O)C(=O)O
InChIInChI=1S/C6H14N2O2.C2H2O4/c1-5(9)6(10)8-4-2-3-7;3-1(4)2(5)6/h5,9H,2-4,7H2,1H3,(H,8,10);(H,3,4)(H,5,6)
InChIKeyUZNUCMGCWVULGY-UHFFFAOYSA-N
MW236.22 g/mol
LogP-2.01
Rot. Bonds4

About N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid

N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid (PubChem CID 88516904) has the molecular formula C8H16N2O6 and a molecular weight of 236.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid
PubChem CID88516904
Molecular FormulaC8H16N2O6
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC NameN-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid
SMILESCC(O)C(=O)NCCCN.O=C(O)C(=O)O
InChIInChI=1S/C6H14N2O2.C2H2O4/c1-5(9)6(10)8-4-2-3-7;3-1(4)2(5)6/h5,9H,2-4,7H2,1H3,(H,8,10);(H,3,4)(H,5,6)
InChIKeyUZNUCMGCWVULGY-UHFFFAOYSA-N
XLogP-2.01
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid?
The IUPAC name of N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid (CID 88516904) is N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid.
What is the SMILES notation for N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid?
The canonical SMILES for N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid is CC(O)C(=O)NCCCN.O=C(O)C(=O)O.
What is the InChIKey of N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid?
The InChIKey is UZNUCMGCWVULGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C2H2O4/c1-5(9)6(10)8-4-2-3-7;3-1(4)2(5)6/h5,9H,2-4,7H2,1H3,(H,8,10);(H,3,4)(H,5,6).
What are the key properties of N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid?
N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid has a molecular weight of 236.22 g/mol, XLogP of -2.01, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid is sourced from PubChem (CID 88516904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).