1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid

C12H23N3O3 — CID 63137242

IUPAC1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NCCCN)C1
InChIInChI=1S/C12H23N3O3/c1-2-12(10(16)17)5-3-8-15(9-12)11(18)14-7-4-6-13/h2-9,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyUGTYSZFURDFOPR-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.62
Rot. Bonds5

About 1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid

1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63137242) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID63137242
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NCCCN)C1
InChIInChI=1S/C12H23N3O3/c1-2-12(10(16)17)5-3-8-15(9-12)11(18)14-7-4-6-13/h2-9,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyUGTYSZFURDFOPR-UHFFFAOYSA-N
XLogP0.62
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63960365
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635
3-ethyl-1-(4-methylsulfanylbutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 113488071
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228
3-ethyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 63959438
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136901
1-[(2-amino-2-oxoethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 55165305
3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid
CID 63227692
3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136060
3-ethyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114469382

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid (CID 63137242) is 1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)NCCCN)C1.
What is the InChIKey of 1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is UGTYSZFURDFOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-12(10(16)17)5-3-8-15(9-12)11(18)14-7-4-6-13/h2-9,13H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid?
1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).