8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid

C14H25NO5 — CID 21403706

IUPAC8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid
SMILESO=C(O)CCCCCCCC1C(O)CCC1C[N+](=O)[O-]
InChIInChI=1S/C14H25NO5/c16-13-9-8-11(10-15(19)20)12(13)6-4-2-1-3-5-7-14(17)18/h11-13,16H,1-10H2,(H,17,18)
InChIKeyBNXBJFIZKSQUFM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.47
Rot. Bonds10

About 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid

8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid (PubChem CID 21403706) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid.

Molecular Properties

Compound Name8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid
PubChem CID21403706
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid
SMILESO=C(O)CCCCCCCC1C(O)CCC1C[N+](=O)[O-]
InChIInChI=1S/C14H25NO5/c16-13-9-8-11(10-15(19)20)12(13)6-4-2-1-3-5-7-14(17)18/h11-13,16H,1-10H2,(H,17,18)
InChIKeyBNXBJFIZKSQUFM-UHFFFAOYSA-N
XLogP2.47
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
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'}

Analyze 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-hydroxy-5-(nitromethyl)cyclopentyl]heptanoic acid
CID 21403618
8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid
CID 54030190
6-[2-(nitromethyl)-5-oxocyclopentyl]hexanoic acid
CID 21403741
7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid
CID 102007417
6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid
CID 54051567
8-[3-(7-carboxyheptyl)-4-hexyl-2-octylcyclohexyl]octanoic acid
CID 58224535
6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid
CID 21403747
2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid
CID 129129516
8-[3-(7-carboxyheptyl)-2-heptyl-4-hexylcyclohexyl]octanoic acid;methanediol
CID 91189495
Cyclopentaneacetic acid, 3-hydroxy-2-pentyl-, sodium salt (1:1)
CID 126511471
8-[(1R,2R,3S,5R)-2-(2-carboxy-2-oxoethyl)-3,5-dihydroxycyclopentyl]octanoic acid
CID 123297502
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid
CID 142078244

Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid?
The IUPAC name of 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid (CID 21403706) is 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid.
What is the SMILES notation for 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid?
The canonical SMILES for 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid is O=C(O)CCCCCCCC1C(O)CCC1C[N+](=O)[O-].
What is the InChIKey of 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid?
The InChIKey is BNXBJFIZKSQUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c16-13-9-8-11(10-15(19)20)12(13)6-4-2-1-3-5-7-14(17)18/h11-13,16H,1-10H2,(H,17,18).
What are the key properties of 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid?
8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid is sourced from PubChem (CID 21403706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).