5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid

C10H20N2O4 — CID 174834752

IUPAC5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid
SMILESCCCCCNC(CCC(=O)O)C(=O)ON
InChIInChI=1S/C10H20N2O4/c1-2-3-4-7-12-8(10(15)16-11)5-6-9(13)14/h8,12H,2-7,11H2,1H3,(H,13,14)
InChIKeyGNRATFXFERSCBU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.42
Rot. Bonds9

About 5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid

5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid (PubChem CID 174834752) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid.

Molecular Properties

Compound Name5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid
PubChem CID174834752
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid
SMILESCCCCCNC(CCC(=O)O)C(=O)ON
InChIInChI=1S/C10H20N2O4/c1-2-3-4-7-12-8(10(15)16-11)5-6-9(13)14/h8,12H,2-7,11H2,1H3,(H,13,14)
InChIKeyGNRATFXFERSCBU-UHFFFAOYSA-N
XLogP0.42
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-(butylamino)-5-methoxy-5-oxopentanoic acid
CID 174549322
(4S)-5-octadecanoyloxy-5-oxo-4-(pentylamino)pentanoic acid
CID 87316938
(2S)-2-(hexylamino)pentanedioic acid
CID 54122466
2-(octadecylamino)pentanedioic acid
CID 18765951
4-(dodecylamino)-5-(2-octyldodecoxy)-5-oxopentanoic acid
CID 175117111
sodium;(2S)-2-(hexadecylamino)pentanedioic acid;hydride
CID 174767967
potassium;hydride;(2R)-2-(tetradecylamino)pentanedioic acid
CID 174683925
(4S)-4-(butylamino)-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
CID 88683044
N-hexyl-N-pentylhexan-1-amine;2-(octadecylamino)pentanedioic acid
CID 175330066
5-(diheptylamino)-4-(octadecylamino)-5-oxopentanoic acid
CID 174970280
(4S)-5-(dioctylamino)-4-(octylamino)-5-oxopentanoic acid
CID 139816413
(2S)-2-[[(Z)-icos-11-enyl]amino]pentanedioic acid
CID 151267787

Frequently Asked Questions

What is the IUPAC name of 5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid?
The IUPAC name of 5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid (CID 174834752) is 5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid.
What is the SMILES notation for 5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid?
The canonical SMILES for 5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid is CCCCCNC(CCC(=O)O)C(=O)ON.
What is the InChIKey of 5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid?
The InChIKey is GNRATFXFERSCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-2-3-4-7-12-8(10(15)16-11)5-6-9(13)14/h8,12H,2-7,11H2,1H3,(H,13,14).
What are the key properties of 5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid?
5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.42, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminooxy-5-oxo-4-(pentylamino)pentanoic acid is sourced from PubChem (CID 174834752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).