4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid

C10H22NO7P — CID 87765641

IUPAC4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid
SMILESCCC(C)OP(=O)(O)CCCCN.O=C(O)C(=O)O
InChIInChI=1S/C8H20NO3P.C2H2O4/c1-3-8(2)12-13(10,11)7-5-4-6-9;3-1(4)2(5)6/h8H,3-7,9H2,1-2H3,(H,10,11);(H,3,4)(H,5,6)
InChIKeySQRPGHNUMORJBG-UHFFFAOYSA-N
MW299.26 g/mol
LogP0.88
Rot. Bonds7

About 4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid

4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid (PubChem CID 87765641) has the molecular formula C10H22NO7P and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid.

Molecular Properties

Compound Name4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid
PubChem CID87765641
Molecular FormulaC10H22NO7P
Molecular Weight299.26 g/mol
Exact Mass299.11
IUPAC Name4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid
SMILESCCC(C)OP(=O)(O)CCCCN.O=C(O)C(=O)O
InChIInChI=1S/C8H20NO3P.C2H2O4/c1-3-8(2)12-13(10,11)7-5-4-6-9;3-1(4)2(5)6/h8H,3-7,9H2,1-2H3,(H,10,11);(H,3,4)(H,5,6)
InChIKeySQRPGHNUMORJBG-UHFFFAOYSA-N
XLogP0.88
TPSA147.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-aminopropyl(butan-2-yloxy)phosphinic acid
CID 87168321
butan-2-yloxy-[3-[methyl(tetradecyl)amino]propyl]phosphinic acid;hydrobromide
CID 89239720
3-diethoxyphosphorylpropan-1-amine;oxalic acid
CID 2733597
butyl(1,2-diaminoethoxy)phosphinic acid
CID 174844964
butan-2-yl 7-aminoheptanoate
CID 60902438
acetyl(butan-2-yloxy)phosphinic acid
CID 87198875
octan-2-yloxy(propyl)phosphinic acid
CID 87194607
tributan-2-yl phosphate
CID 11482502
(2S)-1-[6-amino-1-hydroxy-2-[hydroxy(octyl)phosphoryl]oxyhexyl]pyrrolidine-2-carboxylic acid
CID 88609794
bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid
CID 174887995
(4-amino-1-ethoxy-1-phosphorosobutyl)-butan-2-yloxyphosphinic acid
CID 87872089
2-aminoethylphosphonic acid;oxalic acid
CID 87621016

Frequently Asked Questions

What is the IUPAC name of 4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid?
The IUPAC name of 4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid (CID 87765641) is 4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid.
What is the SMILES notation for 4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid?
The canonical SMILES for 4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid is CCC(C)OP(=O)(O)CCCCN.O=C(O)C(=O)O.
What is the InChIKey of 4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid?
The InChIKey is SQRPGHNUMORJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P.C2H2O4/c1-3-8(2)12-13(10,11)7-5-4-6-9;3-1(4)2(5)6/h8H,3-7,9H2,1-2H3,(H,10,11);(H,3,4)(H,5,6).
What are the key properties of 4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid?
4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid has a molecular weight of 299.26 g/mol, XLogP of 0.88, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid is sourced from PubChem (CID 87765641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).