4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid

C14H23N3O3 — CID 79216190

IUPAC4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCNCC1CCCN(C(=O)NC2C=CC(C(=O)O)C2)C1
InChIInChI=1S/C14H23N3O3/c1-15-8-10-3-2-6-17(9-10)14(20)16-12-5-4-11(7-12)13(18)19/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyIFMYAENSOPGYEI-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.66
Rot. Bonds4

About 4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216190) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216190
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCNCC1CCCN(C(=O)NC2C=CC(C(=O)O)C2)C1
InChIInChI=1S/C14H23N3O3/c1-15-8-10-3-2-6-17(9-10)14(20)16-12-5-4-11(7-12)13(18)19/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyIFMYAENSOPGYEI-UHFFFAOYSA-N
XLogP0.66
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 113418295
4-[(4-methylazepane-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216790
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63041940
4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 102961866
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216909
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79215858
1-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 61408512
4-[(2-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216891
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
3-hydroxy-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408514
3,3-dimethyl-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408608

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79216190) is 4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid is CNCC1CCCN(C(=O)NC2C=CC(C(=O)O)C2)C1.
What is the InChIKey of 4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is IFMYAENSOPGYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-15-8-10-3-2-6-17(9-10)14(20)16-12-5-4-11(7-12)13(18)19/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).