5-(2-nitrophenoxy)pentanoic acid

C11H13NO5 — CID 28971679

IUPAC5-(2-nitrophenoxy)pentanoic acid
SMILESO=C(O)CCCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H13NO5/c13-11(14)7-3-4-8-17-10-6-2-1-5-9(10)12(15)16/h1-2,5-6H,3-4,7-8H2,(H,13,14)
InChIKeyCCUCNCDOYRIXCZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.23
Rot. Bonds7

About 5-(2-nitrophenoxy)pentanoic acid

5-(2-nitrophenoxy)pentanoic acid (PubChem CID 28971679) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-(2-nitrophenoxy)pentanoic acid.

Molecular Properties

Compound Name5-(2-nitrophenoxy)pentanoic acid
PubChem CID28971679
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name5-(2-nitrophenoxy)pentanoic acid
SMILESO=C(O)CCCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H13NO5/c13-11(14)7-3-4-8-17-10-6-2-1-5-9(10)12(15)16/h1-2,5-6H,3-4,7-8H2,(H,13,14)
InChIKeyCCUCNCDOYRIXCZ-UHFFFAOYSA-N
XLogP2.23
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
4-(4-nitronaphthalen-1-yl)oxybutanoic acid
CID 63690121
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
methyl 4-(2-nitrophenoxy)butanoate
CID 43378076
N,N-diethyl-4-(2-nitrophenoxy)butanamide
CID 84556302
2-[methyl-[4-(2-nitrophenoxy)butanoyl]amino]acetic acid
CID 84557633
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
4-(2-nitrophenoxy)butane-1-sulfonic acid
CID 18954140
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
trimethyl-[3-(2-nitrophenoxy)propyl]azanium
CID 57430028
5-(2-nitrophenoxy)pentanenitrile
CID 60645555

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenoxy)pentanoic acid?
The IUPAC name of 5-(2-nitrophenoxy)pentanoic acid (CID 28971679) is 5-(2-nitrophenoxy)pentanoic acid.
What is the SMILES notation for 5-(2-nitrophenoxy)pentanoic acid?
The canonical SMILES for 5-(2-nitrophenoxy)pentanoic acid is O=C(O)CCCCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-(2-nitrophenoxy)pentanoic acid?
The InChIKey is CCUCNCDOYRIXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c13-11(14)7-3-4-8-17-10-6-2-1-5-9(10)12(15)16/h1-2,5-6H,3-4,7-8H2,(H,13,14).
What are the key properties of 5-(2-nitrophenoxy)pentanoic acid?
5-(2-nitrophenoxy)pentanoic acid has a molecular weight of 239.23 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenoxy)pentanoic acid is sourced from PubChem (CID 28971679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).