6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid

C11H15NO2 — CID 177435789

IUPAC6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid
SMILESO=C(O)CCCCCNC1=C=CC=C1
InChIInChI=1S/C11H15NO2/c13-11(14)8-2-1-5-9-12-10-6-3-4-7-10/h3-4,6,12H,1-2,5,8-9H2,(H,13,14)
InChIKeyLSOHSLAWPMCXIG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.83
Rot. Bonds7

About 6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid

6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid (PubChem CID 177435789) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid.

Molecular Properties

Compound Name6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid
PubChem CID177435789
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid
SMILESO=C(O)CCCCCNC1=C=CC=C1
InChIInChI=1S/C11H15NO2/c13-11(14)8-2-1-5-9-12-10-6-3-4-7-10/h3-4,6,12H,1-2,5,8-9H2,(H,13,14)
InChIKeyLSOHSLAWPMCXIG-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid
CID 177393407
5-anilinopentanoic acid
CID 28972030
6-(2,6-dibromoanilino)hexanoic acid
CID 107599094
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid?
The IUPAC name of 6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid (CID 177435789) is 6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid.
What is the SMILES notation for 6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid?
The canonical SMILES for 6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid is O=C(O)CCCCCNC1=C=CC=C1.
What is the InChIKey of 6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid?
The InChIKey is LSOHSLAWPMCXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-11(14)8-2-1-5-9-12-10-6-3-4-7-10/h3-4,6,12H,1-2,5,8-9H2,(H,13,14).
What are the key properties of 6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid?
6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid is sourced from PubChem (CID 177435789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).