3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid

C14H25N3O5 — CID 122019084

IUPAC3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C14H25N3O5/c1-10-3-4-11(13(20)15-7-8-22-2)9-17(10)14(21)16-6-5-12(18)19/h10-11H,3-9H2,1-2H3,(H,15,20)(H,16,21)(H,18,19)
InChIKeyCWKCXOCYXOPKLA-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.03
Rot. Bonds7

About 3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid

3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid (PubChem CID 122019084) has the molecular formula C14H25N3O5 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid
PubChem CID122019084
Molecular FormulaC14H25N3O5
Molecular Weight315.37 g/mol
Exact Mass315.18
IUPAC Name3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C14H25N3O5/c1-10-3-4-11(13(20)15-7-8-22-2)9-17(10)14(21)16-6-5-12(18)19/h10-11H,3-9H2,1-2H3,(H,15,20)(H,16,21)(H,18,19)
InChIKeyCWKCXOCYXOPKLA-UHFFFAOYSA-N
XLogP0.03
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]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

(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975412
(3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95733928
(3R,6R)-1-(4-ethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671477
6-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182103
(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95290519
(3R,6S)-N-(2-methoxyethyl)-6-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxamide
CID 97221330
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871
(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671496
(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 97072416
3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide
CID 48812935
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055365

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid (CID 122019084) is 3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid is COCCNC(=O)C1CCC(C)N(C(=O)NCCC(=O)O)C1.
What is the InChIKey of 3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is CWKCXOCYXOPKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O5/c1-10-3-4-11(13(20)15-7-8-22-2)9-17(10)14(21)16-6-5-12(18)19/h10-11H,3-9H2,1-2H3,(H,15,20)(H,16,21)(H,18,19).
What are the key properties of 3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid?
3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 315.37 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122019084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).