6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid

C14H26N2O3 — CID 83116908

IUPAC6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
SMILESCN(C)C1(CNC(=O)CCCCC(=O)O)CCCC1
InChIInChI=1S/C14H26N2O3/c1-16(2)14(9-5-6-10-14)11-15-12(17)7-3-4-8-13(18)19/h3-11H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFQROCDIQZJVRGW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds8

About 6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid

6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid (PubChem CID 83116908) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
PubChem CID83116908
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
SMILESCN(C)C1(CNC(=O)CCCCC(=O)O)CCCC1
InChIInChI=1S/C14H26N2O3/c1-16(2)14(9-5-6-10-14)11-15-12(17)7-3-4-8-13(18)19/h3-11H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFQROCDIQZJVRGW-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
CID 83117115
5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
CID 103262326
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
CID 83120548
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587
5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid
CID 63822209
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid
CID 154913579

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid (CID 83116908) is 6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid is CN(C)C1(CNC(=O)CCCCC(=O)O)CCCC1.
What is the InChIKey of 6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid?
The InChIKey is FQROCDIQZJVRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-16(2)14(9-5-6-10-14)11-15-12(17)7-3-4-8-13(18)19/h3-11H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid?
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid is sourced from PubChem (CID 83116908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).