1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid

C14H27NO3 — CID 79581903

IUPAC1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCOC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-5-15-14(12(16)17)9-6-7-11(14)8-10-18-13(2,3)4/h11,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyQKCHVXHREKJWFR-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.42
Rot. Bonds6

About 1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid

1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79581903) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
PubChem CID79581903
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCOC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-5-15-14(12(16)17)9-6-7-11(14)8-10-18-13(2,3)4/h11,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyQKCHVXHREKJWFR-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,3-dimethylbutoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79588315
1-(methylamino)-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 115942606
1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid
CID 79586609
ethyl 1-(methylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylate
CID 79571539
2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 81062489
1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79586535
1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563619
1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563917
2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79582767
2-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79572884
2-(2-butoxyethyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79586499
2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid (CID 79581903) is 1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCCC1CCOC(C)(C)C.
What is the InChIKey of 1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is QKCHVXHREKJWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-15-14(12(16)17)9-6-7-11(14)8-10-18-13(2,3)4/h11,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid?
1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 257.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79581903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).