1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid

C16H30N2O3 — CID 79572796

IUPAC1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCN1CCCOC(C)C1
InChIInChI=1S/C16H30N2O3/c1-3-17-16(15(19)20)8-4-6-14(16)7-10-18-9-5-11-21-13(2)12-18/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyRMKQUYBSBDHHRI-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.72
Rot. Bonds6

About 1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid

1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79572796) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79572796
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCN1CCCOC(C)C1
InChIInChI=1S/C16H30N2O3/c1-3-17-16(15(19)20)8-4-6-14(16)7-10-18-9-5-11-21-13(2)12-18/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyRMKQUYBSBDHHRI-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 104960352
2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577294
1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572494
[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571069
[1-(methylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571001
2-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79572884
2-(2-morpholin-4-ylethyl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79575876
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577082
methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79573398
ethyl 1-amino-2-[2-(2-methylmorpholin-4-yl)ethyl]cyclopentane-1-carboxylate
CID 79577577
ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate
CID 79576046
2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564865

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid (CID 79572796) is 1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCCC1CCN1CCCOC(C)C1.
What is the InChIKey of 1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is RMKQUYBSBDHHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-17-16(15(19)20)8-4-6-14(16)7-10-18-9-5-11-21-13(2)12-18/h13-14,17H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid?
1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79572796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).