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

C19H37NO2 — CID 90668518

IUPAC7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid
SMILESCCCCCNCC[C@@H]1CCC[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C19H37NO2/c1-2-3-8-15-20-16-14-18-12-9-11-17(18)10-6-4-5-7-13-19(21)22/h17-18,20H,2-16H2,1H3,(H,21,22)/t17-,18-/m0/s1
InChIKeyGVQZPPYXSNWJHN-ROUUACIJSA-N
MW311.51 g/mol
LogP5.00
Rot. Bonds14

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

7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid (PubChem CID 90668518) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid
PubChem CID90668518
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid
SMILESCCCCCNCC[C@@H]1CCC[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C19H37NO2/c1-2-3-8-15-20-16-14-18-12-9-11-17(18)10-6-4-5-7-13-19(21)22/h17-18,20H,2-16H2,1H3,(H,21,22)/t17-,18-/m0/s1
InChIKeyGVQZPPYXSNWJHN-ROUUACIJSA-N
XLogP5.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 55.00
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-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid (CID 90668518) is 7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid is CCCCCNCC[C@@H]1CCC[C@@H]1CCCCCCC(=O)O.
What is the InChIKey of 7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid?
The InChIKey is GVQZPPYXSNWJHN-ROUUACIJSA-N. The full InChI is InChI=1S/C19H37NO2/c1-2-3-8-15-20-16-14-18-12-9-11-17(18)10-6-4-5-7-13-19(21)22/h17-18,20H,2-16H2,1H3,(H,21,22)/t17-,18-/m0/s1.
What are the key properties of 7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid?
7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid has a molecular weight of 311.51 g/mol, XLogP of 5.00, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid is sourced from PubChem (CID 90668518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).