1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid

C17H31NO3 — CID 79586609

IUPAC1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCOC1CCCCC1C
InChIInChI=1S/C17H31NO3/c1-3-18-17(16(19)20)11-6-8-14(17)10-12-21-15-9-5-4-7-13(15)2/h13-15,18H,3-12H2,1-2H3,(H,19,20)
InChIKeyZDCQCCVRUJZEOY-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.20
Rot. Bonds7

About 1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid

1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid (PubChem CID 79586609) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid
PubChem CID79586609
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCOC1CCCCC1C
InChIInChI=1S/C17H31NO3/c1-3-18-17(16(19)20)11-6-8-14(17)10-12-21-15-9-5-4-7-13(15)2/h13-15,18H,3-12H2,1-2H3,(H,19,20)
InChIKeyZDCQCCVRUJZEOY-UHFFFAOYSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentyl]methanol
CID 79581305
1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
CID 79581903
2-[2-(3,3-dimethylbutoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79588315
2-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79572884
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
2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79582767
1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563619
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 104960352
1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572796
2-(2-butoxyethyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79586499
2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79587215

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid (CID 79586609) is 1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCCC1CCOC1CCCCC1C.
What is the InChIKey of 1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZDCQCCVRUJZEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-18-17(16(19)20)11-6-8-14(17)10-12-21-15-9-5-4-7-13(15)2/h13-15,18H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid?
1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.44 g/mol, XLogP of 3.20, 7 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-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79586609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).