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

C19H37NO2 — CID 10041163

IUPAC7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid
SMILESCCCCCCCNC1CCC[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C19H37NO2/c1-2-3-4-7-10-16-20-18-14-11-13-17(18)12-8-5-6-9-15-19(21)22/h17-18,20H,2-16H2,1H3,(H,21,22)/t17-,18?/m0/s1
InChIKeyRZZNGDIYQSCFGK-ZENAZSQFSA-N
MW311.51 g/mol
LogP5.14
Rot. Bonds14

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

7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid (PubChem CID 10041163) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid
PubChem CID10041163
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid
SMILESCCCCCCCNC1CCC[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C19H37NO2/c1-2-3-4-7-10-16-20-18-14-11-13-17(18)12-8-5-6-9-15-19(21)22/h17-18,20H,2-16H2,1H3,(H,21,22)/t17-,18?/m0/s1
InChIKeyRZZNGDIYQSCFGK-ZENAZSQFSA-N
XLogP5.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.14
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

7-[2-(hexylamino)-6-methylcyclohexyl]heptanoic acid
CID 67932357
3-[(2-hexylcyclopentyl)amino]propan-1-ol
CID 115705219
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid
CID 54195114
N-ethyl-2-octylcyclopentan-1-amine
CID 63399748
5-[(2-methylcyclopentyl)amino]pentanoic acid
CID 103251309
7-(4-octyloxolan-3-yl)heptanoic acid
CID 53463626
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
8-[3-(7-carboxyheptyl)-4-hexyl-2-octylcyclohexyl]octanoic acid
CID 58224535
2-(aminomethyl)-N-octylcyclopentan-1-amine
CID 115566940
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
N,N'-bis(2-hexylcyclohexyl)methanediamine
CID 175881846

Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid (CID 10041163) is 7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid is CCCCCCCNC1CCC[C@@H]1CCCCCCC(=O)O.
What is the InChIKey of 7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid?
The InChIKey is RZZNGDIYQSCFGK-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H37NO2/c1-2-3-4-7-10-16-20-18-14-11-13-17(18)12-8-5-6-9-15-19(21)22/h17-18,20H,2-16H2,1H3,(H,21,22)/t17-,18?/m0/s1.
What are the key properties of 7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid?
7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid has a molecular weight of 311.51 g/mol, XLogP of 5.14, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid is sourced from PubChem (CID 10041163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).