3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid

C14H26N2O4 — CID 63834760

IUPAC3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCCOC1CCCC1
InChIInChI=1S/C14H26N2O4/c1-3-16(10-11(2)13(17)18)14(19)15-8-9-20-12-6-4-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyASVHXLKOLONNCW-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds8

About 3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid

3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 63834760) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID63834760
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCCOC1CCCC1
InChIInChI=1S/C14H26N2O4/c1-3-16(10-11(2)13(17)18)14(19)15-8-9-20-12-6-4-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyASVHXLKOLONNCW-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-cyclohexyloxyethylcarbamoyl(ethyl)amino]acetic acid
CID 63834419
3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea
CID 79161980
3-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851955
3-[ethyl(thian-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 80612503
3-[ethyl(5-methylsulfanylpentylcarbamoyl)amino]-2-methylpropanoic acid
CID 114128529
3-[ethyl(thiolan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 80586606
3-[ethyl(3-methylsulfanylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 113494161
N-(2-cyclopentyloxyethyl)-3-(ethylamino)-2-methylpropanamide
CID 63828827
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid (CID 63834760) is 3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)NCCOC1CCCC1.
What is the InChIKey of 3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is ASVHXLKOLONNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-16(10-11(2)13(17)18)14(19)15-8-9-20-12-6-4-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 63834760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).