3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid

C7H14N2O6 — CID 89081489

IUPAC3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)CCCON(O)O
InChIInChI=1S/C7H14N2O6/c10-6(8-4-3-7(11)12)2-1-5-15-9(13)14/h13-14H,1-5H2,(H,8,10)(H,11,12)
InChIKeyZUQPXKMMEMKDLB-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.63
Rot. Bonds8

About 3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid

3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid (PubChem CID 89081489) has the molecular formula C7H14N2O6 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid
PubChem CID89081489
Molecular FormulaC7H14N2O6
Molecular Weight222.20 g/mol
Exact Mass222.09
IUPAC Name3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)CCCON(O)O
InChIInChI=1S/C7H14N2O6/c10-6(8-4-3-7(11)12)2-1-5-15-9(13)14/h13-14H,1-5H2,(H,8,10)(H,11,12)
InChIKeyZUQPXKMMEMKDLB-UHFFFAOYSA-N
XLogP-0.63
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

11-(dihydroxyamino)oxyundecanoic acid
CID 88938891
3-(docosanoylamino)propanoic acid
CID 45357432
3-(tetradecanoylamino)propanoic acid
CID 3662949
3-(3-hydroxypropanoylamino)propanoic acid
CID 117126681
3-(dodecanoylamino)propanoic acid;zinc
CID 87141829
3-[[13-(butylamino)-13-oxotridecanoyl]amino]propanoic acid
CID 170549124
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid?
The IUPAC name of 3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid (CID 89081489) is 3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid.
What is the SMILES notation for 3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid?
The canonical SMILES for 3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid is O=C(O)CCNC(=O)CCCON(O)O.
What is the InChIKey of 3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid?
The InChIKey is ZUQPXKMMEMKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O6/c10-6(8-4-3-7(11)12)2-1-5-15-9(13)14/h13-14H,1-5H2,(H,8,10)(H,11,12).
What are the key properties of 3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid?
3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid has a molecular weight of 222.20 g/mol, XLogP of -0.63, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid is sourced from PubChem (CID 89081489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).