3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid

C13H24N2O4 — CID 54990119

IUPAC3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid
SMILESCCOC1CCCN(C(=O)N(CC)CCC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-14(9-7-12(16)17)13(18)15-8-5-6-11(10-15)19-4-2/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyUTIGDBXAMBUNSQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.40
Rot. Bonds6

About 3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid

3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid (PubChem CID 54990119) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid
PubChem CID54990119
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid
SMILESCCOC1CCCN(C(=O)N(CC)CCC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-14(9-7-12(16)17)13(18)15-8-5-6-11(10-15)19-4-2/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyUTIGDBXAMBUNSQ-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[ethyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162855
1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
CID 107026169
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-ethylamino]propanoic acid
CID 79181066
4-chloro-1-(3-ethoxypiperidin-1-yl)butan-1-one
CID 63308584
2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61216523
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 54989916
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
3-(3-ethoxypiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821760
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide
CID 47755944

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid (CID 54990119) is 3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid is CCOC1CCCN(C(=O)N(CC)CCC(=O)O)C1.
What is the InChIKey of 3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid?
The InChIKey is UTIGDBXAMBUNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-14(9-7-12(16)17)13(18)15-8-5-6-11(10-15)19-4-2/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid?
3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid is sourced from PubChem (CID 54990119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).