3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid

C10H17NO4 — CID 63135585

IUPAC3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)OC)C1
InChIInChI=1S/C10H17NO4/c1-3-10(8(12)13)5-4-6-11(7-10)9(14)15-2/h3-7H2,1-2H3,(H,12,13)
InChIKeyOZMDWWLWYXTRBT-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds2

About 3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid

3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid (PubChem CID 63135585) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
PubChem CID63135585
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)OC)C1
InChIInChI=1S/C10H17NO4/c1-3-10(8(12)13)5-4-6-11(7-10)9(14)15-2/h3-7H2,1-2H3,(H,12,13)
InChIKeyOZMDWWLWYXTRBT-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic 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

1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 106112823
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 63138089
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136901
1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164336
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824
3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136060
3-ethyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63960365
1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63137242
4-ethylazepane-1,4-dicarboxylic acid
CID 123426716

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid (CID 63135585) is 3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)OC)C1.
What is the InChIKey of 3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid?
The InChIKey is OZMDWWLWYXTRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-10(8(12)13)5-4-6-11(7-10)9(14)15-2/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid?
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).