6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid

C12H19NO3 — CID 56988599

IUPAC6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid
SMILESCONC1=CCC=C1CCCCCC(=O)O
InChIInChI=1S/C12H19NO3/c1-16-13-11-8-5-7-10(11)6-3-2-4-9-12(14)15/h7-8,13H,2-6,9H2,1H3,(H,14,15)
InChIKeyMWHLHIPAWHWAMK-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.39
Rot. Bonds8

About 6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid

6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid (PubChem CID 56988599) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid.

Molecular Properties

Compound Name6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid
PubChem CID56988599
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid
SMILESCONC1=CCC=C1CCCCCC(=O)O
InChIInChI=1S/C12H19NO3/c1-16-13-11-8-5-7-10(11)6-3-2-4-9-12(14)15/h7-8,13H,2-6,9H2,1H3,(H,14,15)
InChIKeyMWHLHIPAWHWAMK-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

6-(3-methoxy-5-oxocyclopenten-1-yl)hexanoic acid
CID 54505198
8-(3,5-dimethoxyphenyl)octanoic acid
CID 14427818
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
5-[4-[[4-(6-methoxy-6-oxohexyl)phenyl]methyl]phenyl]pentanoic acid
CID 4158942
4-(3,5-dimethoxyphenoxy)butanoic acid
CID 43351586
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
methanol;tridecanedioic acid
CID 175511493
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
tetradecanedioic acid
CID 13185

Frequently Asked Questions

What is the IUPAC name of 6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid?
The IUPAC name of 6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid (CID 56988599) is 6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid.
What is the SMILES notation for 6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid?
The canonical SMILES for 6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid is CONC1=CCC=C1CCCCCC(=O)O.
What is the InChIKey of 6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid?
The InChIKey is MWHLHIPAWHWAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-16-13-11-8-5-7-10(11)6-3-2-4-9-12(14)15/h7-8,13H,2-6,9H2,1H3,(H,14,15).
What are the key properties of 6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid?
6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid has a molecular weight of 225.29 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid is sourced from PubChem (CID 56988599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).