1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid

C15H27NO4 — CID 79581156

IUPAC1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCOCC1CCCCO1
InChIInChI=1S/C15H27NO4/c1-16-15(14(17)18)8-4-5-12(15)7-10-19-11-13-6-2-3-9-20-13/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeyOQGFINCWYZZDPH-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.81
Rot. Bonds7

About 1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid

1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79581156) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79581156
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCOCC1CCCCO1
InChIInChI=1S/C15H27NO4/c1-16-15(14(17)18)8-4-5-12(15)7-10-19-11-13-6-2-3-9-20-13/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeyOQGFINCWYZZDPH-UHFFFAOYSA-N
XLogP1.81
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865
1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581399
1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 106448929
1-(methylamino)-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 115942606
1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79565147
[1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol
CID 79581921
1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572364
2-[2-(2,6-dimethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79587310
methyl 1-(methylamino)-2-(2-pentoxyethyl)cyclopentane-1-carboxylate
CID 79587746
2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid
CID 106806865
1-(methylamino)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 79581314
4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid
CID 114994237

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid (CID 79581156) is 1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCCC1CCOCC1CCCCO1.
What is the InChIKey of 1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is OQGFINCWYZZDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-16-15(14(17)18)8-4-5-12(15)7-10-19-11-13-6-2-3-9-20-13/h12-13,16H,2-11H2,1H3,(H,17,18).
What are the key properties of 1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid?
1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79581156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).