2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid

C13H22N2O6 — CID 79463699

IUPAC2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
SMILESCCOC(=O)C1CCCN(C(=O)NCCOCC(=O)O)C1
InChIInChI=1S/C13H22N2O6/c1-2-21-12(18)10-4-3-6-15(8-10)13(19)14-5-7-20-9-11(16)17/h10H,2-9H2,1H3,(H,14,19)(H,16,17)
InChIKeyYYNOEAYHACQMJD-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.07
Rot. Bonds7

About 2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid

2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79463699) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
PubChem CID79463699
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
SMILESCCOC(=O)C1CCCN(C(=O)NCCOCC(=O)O)C1
InChIInChI=1S/C13H22N2O6/c1-2-21-12(18)10-4-3-6-15(8-10)13(19)14-5-7-20-9-11(16)17/h10H,2-9H2,1H3,(H,14,19)(H,16,17)
InChIKeyYYNOEAYHACQMJD-UHFFFAOYSA-N
XLogP0.07
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107837748
ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate
CID 138044979
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
CID 79457879
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
ethyl 1-[N-[2-(2-methoxyethoxy)ethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110993343
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985
ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate
CID 108912857
ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate
CID 108883477
2-[2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79464404
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid (CID 79463699) is 2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid is CCOC(=O)C1CCCN(C(=O)NCCOCC(=O)O)C1.
What is the InChIKey of 2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is YYNOEAYHACQMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-2-21-12(18)10-4-3-6-15(8-10)13(19)14-5-7-20-9-11(16)17/h10H,2-9H2,1H3,(H,14,19)(H,16,17).
What are the key properties of 2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79463699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).