2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid

C14H26N2O4 — CID 114943589

IUPAC2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid
SMILESCCOC(C)(C)CNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H26N2O4/c1-4-20-13(2,3)10-15-12(19)16-14(9-11(17)18)7-5-6-8-14/h4-10H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyHHWZBXXMOIAOFZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.89
Rot. Bonds7

About 2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid

2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid (PubChem CID 114943589) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid
PubChem CID114943589
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid
SMILESCCOC(C)(C)CNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H26N2O4/c1-4-20-13(2,3)10-15-12(19)16-14(9-11(17)18)7-5-6-8-14/h4-10H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyHHWZBXXMOIAOFZ-UHFFFAOYSA-N
XLogP1.89
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114943563
N-(2-ethoxy-2-methylpropyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 114942287
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid
CID 64699672
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid
CID 106191220
2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid
CID 64701906
2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64701811
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid (CID 114943589) is 2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid is CCOC(C)(C)CNC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid?
The InChIKey is HHWZBXXMOIAOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-20-13(2,3)10-15-12(19)16-14(9-11(17)18)7-5-6-8-14/h4-10H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid?
2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 114943589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).