6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid

C14H25NO3 — CID 114124800

IUPAC6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
SMILESCCC1(CNC(=O)CCCCC(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-2-14(9-5-6-10-14)11-15-12(16)7-3-4-8-13(17)18/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyWNNISYAEIOFXGY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds8

About 6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid

6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid (PubChem CID 114124800) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
PubChem CID114124800
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
SMILESCCC1(CNC(=O)CCCCC(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-2-14(9-5-6-10-14)11-15-12(16)7-3-4-8-13(17)18/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyWNNISYAEIOFXGY-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
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

N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119782138
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid
CID 63822209
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
N-[(1-ethylcyclohexyl)methyl]acetamide;N-[(1-ethylcyclohexyl)methyl]dodecanamide;N-[(1-ethylcyclohexyl)methyl]heptanamide;N-[(1-ethylcyclohexyl)methyl]hexanamide;N-[(1-ethylcyclohexyl)methyl]undecanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]decanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]nonanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]octanamide
CID 161460753
N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
4-amino-N-[(1-ethylcyclobutyl)methyl]pentanamide
CID 106813317
N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
CID 115363870
N-[(1-ethylcyclopentyl)methyl]-2-(methylamino)acetamide
CID 103812596
3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide
CID 103796646

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid (CID 114124800) is 6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid is CCC1(CNC(=O)CCCCC(=O)O)CCCC1.
What is the InChIKey of 6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid?
The InChIKey is WNNISYAEIOFXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-14(9-5-6-10-14)11-15-12(16)7-3-4-8-13(17)18/h2-11H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid?
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid is sourced from PubChem (CID 114124800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).