7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid

C18H35NO2 — CID 22813456

IUPAC7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid
SMILESCCCCCCN[C@H]1CCC[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C18H35NO2/c1-2-3-4-9-15-19-17-13-10-12-16(17)11-7-5-6-8-14-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)/t16-,17-/m0/s1
InChIKeyJLZNNGJOIWGTIB-IRXDYDNUSA-N
MW297.48 g/mol
LogP4.75
Rot. Bonds13

About 7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid

7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid (PubChem CID 22813456) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid
PubChem CID22813456
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid
SMILESCCCCCCN[C@H]1CCC[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C18H35NO2/c1-2-3-4-9-15-19-17-13-10-12-16(17)11-7-5-6-8-14-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)/t16-,17-/m0/s1
InChIKeyJLZNNGJOIWGTIB-IRXDYDNUSA-N
XLogP4.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.75
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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Frequently Asked Questions

What is the IUPAC name of 7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid (CID 22813456) is 7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid is CCCCCCN[C@H]1CCC[C@@H]1CCCCCCC(=O)O.
What is the InChIKey of 7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid?
The InChIKey is JLZNNGJOIWGTIB-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-9-15-19-17-13-10-12-16(17)11-7-5-6-8-14-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)/t16-,17-/m0/s1.
What are the key properties of 7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid?
7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid has a molecular weight of 297.48 g/mol, XLogP of 4.75, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2S)-2-(hexylamino)cyclopentyl]heptanoic acid is sourced from PubChem (CID 22813456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).