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

C13H22N2O5 — CID 62670640

IUPAC3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCCOC(=O)C1CCCCN1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-3-20-12(18)10-6-4-5-7-15(10)13(19)14-8-9(2)11(16)17/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyZPBPTICIIVMORT-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.83
Rot. Bonds5

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

3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62670640) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62670640
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCCOC(=O)C1CCCCN1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-3-20-12(18)10-6-4-5-7-15(10)13(19)14-8-9(2)11(16)17/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyZPBPTICIIVMORT-UHFFFAOYSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic 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

3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167842
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670104
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61265168
ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 78917554
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221074
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 55096838
1-[(2-ethoxy-2-oxoethyl)carbamoyl]azepane-2-carboxylic acid
CID 64563112
ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate
CID 43648369

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (CID 62670640) is 3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is CCOC(=O)C1CCCCN1C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is ZPBPTICIIVMORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-20-12(18)10-6-4-5-7-15(10)13(19)14-8-9(2)11(16)17/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17).
What are the key properties of 3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62670640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).