3-hydroxy-5-(4-nitrophenoxy)pentanoic acid

C11H13NO6 — CID 18767504

IUPAC3-hydroxy-5-(4-nitrophenoxy)pentanoic acid
SMILESO=C(O)CC(O)CCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13NO6/c13-9(7-11(14)15)5-6-18-10-3-1-8(2-4-10)12(16)17/h1-4,9,13H,5-7H2,(H,14,15)
InChIKeyMAZVCSAEOMYGAO-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.20
Rot. Bonds7

About 3-hydroxy-5-(4-nitrophenoxy)pentanoic acid

3-hydroxy-5-(4-nitrophenoxy)pentanoic acid (PubChem CID 18767504) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-hydroxy-5-(4-nitrophenoxy)pentanoic acid.

Molecular Properties

Compound Name3-hydroxy-5-(4-nitrophenoxy)pentanoic acid
PubChem CID18767504
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name3-hydroxy-5-(4-nitrophenoxy)pentanoic acid
SMILESO=C(O)CC(O)CCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13NO6/c13-9(7-11(14)15)5-6-18-10-3-1-8(2-4-10)12(16)17/h1-4,9,13H,5-7H2,(H,14,15)
InChIKeyMAZVCSAEOMYGAO-UHFFFAOYSA-N
XLogP1.20
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(aminomethyl)-5-methyl-7-(4-nitrophenoxy)heptanoic acid
CID 57080171
(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid
CID 166746299
3-(4-nitrophenoxy)propanoate
CID 6993075
1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
CID 10493641
3-(4-nitrophenoxy)-1-phenylpropan-1-amine
CID 173162895
5-(3,4-difluorophenoxy)-3-hydroxypentanoic acid
CID 112508599
[2-hydroxy-4-(4-nitrophenoxy)butyl] octadecanoate
CID 69052607
2-amino-12-(4-nitrophenoxy)dodecanoic acid
CID 145451105
ethyl 2-amino-4-(4-nitrophenoxy)butanoate
CID 63039415
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol
CID 30078485

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(4-nitrophenoxy)pentanoic acid?
The IUPAC name of 3-hydroxy-5-(4-nitrophenoxy)pentanoic acid (CID 18767504) is 3-hydroxy-5-(4-nitrophenoxy)pentanoic acid.
What is the SMILES notation for 3-hydroxy-5-(4-nitrophenoxy)pentanoic acid?
The canonical SMILES for 3-hydroxy-5-(4-nitrophenoxy)pentanoic acid is O=C(O)CC(O)CCOc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-hydroxy-5-(4-nitrophenoxy)pentanoic acid?
The InChIKey is MAZVCSAEOMYGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6/c13-9(7-11(14)15)5-6-18-10-3-1-8(2-4-10)12(16)17/h1-4,9,13H,5-7H2,(H,14,15).
What are the key properties of 3-hydroxy-5-(4-nitrophenoxy)pentanoic acid?
3-hydroxy-5-(4-nitrophenoxy)pentanoic acid has a molecular weight of 255.23 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(4-nitrophenoxy)pentanoic acid is sourced from PubChem (CID 18767504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).