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

C19H29NO2 — CID 54045045

IUPAC7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1CCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C19H29NO2/c21-19(22)14-7-2-1-6-11-17-12-8-13-18(17)20-15-16-9-4-3-5-10-16/h3-5,9-10,17-18,20H,1-2,6-8,11-15H2,(H,21,22)/t17-,18+/m1/s1
InChIKeyLOYQIPDYKKUIMR-MSOLQXFVSA-N
MW303.45 g/mol
LogP4.37
Rot. Bonds10

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

7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid (PubChem CID 54045045) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid
PubChem CID54045045
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1CCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C19H29NO2/c21-19(22)14-7-2-1-6-11-17-12-8-13-18(17)20-15-16-9-4-3-5-10-16/h3-5,9-10,17-18,20H,1-2,6-8,11-15H2,(H,21,22)/t17-,18+/m1/s1
InChIKeyLOYQIPDYKKUIMR-MSOLQXFVSA-N
XLogP4.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.37
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-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid (CID 54045045) is 7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid is O=C(O)CCCCCC[C@@H]1CCC[C@@H]1NCc1ccccc1.
What is the InChIKey of 7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid?
The InChIKey is LOYQIPDYKKUIMR-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H29NO2/c21-19(22)14-7-2-1-6-11-17-12-8-13-18(17)20-15-16-9-4-3-5-10-16/h3-5,9-10,17-18,20H,1-2,6-8,11-15H2,(H,21,22)/t17-,18+/m1/s1.
What are the key properties of 7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid?
7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid has a molecular weight of 303.45 g/mol, XLogP of 4.37, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid is sourced from PubChem (CID 54045045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).