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

C13H22N2O5 — CID 61188372

IUPAC2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
SMILESCCOC(=O)C1CCCN(C(=O)N(CC)CC(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-3-14(9-11(16)17)13(19)15-7-5-6-10(8-15)12(18)20-4-2/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyUABLZNOMAMBQST-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.79
Rot. Bonds5

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

2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid (PubChem CID 61188372) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
PubChem CID61188372
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
SMILESCCOC(=O)C1CCCN(C(=O)N(CC)CC(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-3-14(9-11(16)17)13(19)15-7-5-6-10(8-15)12(18)20-4-2/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyUABLZNOMAMBQST-UHFFFAOYSA-N
XLogP0.79
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
(3S)-1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126397
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103103373
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115535207
2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
CID 75418047
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid (CID 61188372) is 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid is CCOC(=O)C1CCCN(C(=O)N(CC)CC(=O)O)C1.
What is the InChIKey of 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid?
The InChIKey is UABLZNOMAMBQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-14(9-11(16)17)13(19)15-7-5-6-10(8-15)12(18)20-4-2/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid?
2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid is sourced from PubChem (CID 61188372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).