3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid

C13H22N2O5 — CID 66033021

IUPAC3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)CN(CC)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-3-15(8-11(16)20-4-2)13(19)14-10-6-5-9(7-10)12(17)18/h9-10H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyMBAUSNQOFSBPIA-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.83
Rot. Bonds6

About 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid

3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66033021) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66033021
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)CN(CC)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-3-15(8-11(16)20-4-2)13(19)14-10-6-5-9(7-10)12(17)18/h9-10H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyMBAUSNQOFSBPIA-UHFFFAOYSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

ethyl 2-[cyclopropylcarbamoyl(ethyl)amino]acetate
CID 62700813
cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319555
cis-(1R,3S)-3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319510
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319921
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031638
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216423
2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548741
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816
cis-(1R,3S)-3-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320008

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid (CID 66033021) is 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid is CCOC(=O)CN(CC)C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MBAUSNQOFSBPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-15(8-11(16)20-4-2)13(19)14-10-6-5-9(7-10)12(17)18/h9-10H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66033021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).