2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid

C15H29NO4 — CID 79587363

IUPAC2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC1CCOC(C)COC
InChIInChI=1S/C15H29NO4/c1-4-9-16-15(14(17)18)8-5-6-13(15)7-10-20-12(2)11-19-3/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeySUXJWGWVDMJJLD-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.05
Rot. Bonds10

About 2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid

2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid (PubChem CID 79587363) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
PubChem CID79587363
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC1CCOC(C)COC
InChIInChI=1S/C15H29NO4/c1-4-9-16-15(14(17)18)8-5-6-13(15)7-10-20-12(2)11-19-3/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeySUXJWGWVDMJJLD-UHFFFAOYSA-N
XLogP2.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577889
2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79565480
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79566081
2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79581463
methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate
CID 82006966
methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate
CID 102984407
2-[2-(2-hydroxyethylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587670
2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865
2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79576826
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577082
1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 106448929
methyl 2-[2-(2-methoxyethylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxylate
CID 79586956

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid (CID 79587363) is 2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid is CCCNC1(C(=O)O)CCCC1CCOC(C)COC.
What is the InChIKey of 2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The InChIKey is SUXJWGWVDMJJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-4-9-16-15(14(17)18)8-5-6-13(15)7-10-20-12(2)11-19-3/h12-13,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79587363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).