8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid

C14H23NO5 — CID 54030190

IUPAC8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid
SMILESO=C(O)CCCCC=CCC1C(O)CCC1C[N+](=O)[O-]
InChIInChI=1S/C14H23NO5/c16-13-9-8-11(10-15(19)20)12(13)6-4-2-1-3-5-7-14(17)18/h2,4,11-13,16H,1,3,5-10H2,(H,17,18)
InChIKeyLFARAAKBTQVDGD-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.24
Rot. Bonds9

About 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid

8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid (PubChem CID 54030190) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid.

Molecular Properties

Compound Name8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid
PubChem CID54030190
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid
SMILESO=C(O)CCCCC=CCC1C(O)CCC1C[N+](=O)[O-]
InChIInChI=1S/C14H23NO5/c16-13-9-8-11(10-15(19)20)12(13)6-4-2-1-3-5-7-14(17)18/h2,4,11-13,16H,1,3,5-10H2,(H,17,18)
InChIKeyLFARAAKBTQVDGD-UHFFFAOYSA-N
XLogP2.24
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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]oct-6-enoic 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

8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid
CID 21403706
7-[2-hydroxy-5-(nitromethyl)cyclopentyl]heptanoic acid
CID 21403618
(Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid
CID 143310807
18-nitrooctadec-9-enoic acid
CID 87276089
7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid
CID 56990025
22-nitrodocosa-7,10,13,16,19-pentaenoic acid
CID 87379642
7-[(1S,2S,3R,4R)-3-hydroxy-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54510753
7-[(1S,2S,3S,4S)-3-hydroxy-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54510752
7-[(1R,2R)-2-[5-(4-bromo-5-methylthiophen-2-yl)-3-oxopentyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 91532757
(Z)-7-[(1R,2R,3S,4S)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70352333
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid
CID 142078244
tetradec-6-enedioic acid
CID 151545129

Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid?
The IUPAC name of 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid (CID 54030190) is 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid.
What is the SMILES notation for 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid?
The canonical SMILES for 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid is O=C(O)CCCCC=CCC1C(O)CCC1C[N+](=O)[O-].
What is the InChIKey of 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid?
The InChIKey is LFARAAKBTQVDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c16-13-9-8-11(10-15(19)20)12(13)6-4-2-1-3-5-7-14(17)18/h2,4,11-13,16H,1,3,5-10H2,(H,17,18).
What are the key properties of 8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid?
8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.24, 9 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]oct-6-enoic acid is sourced from PubChem (CID 54030190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).