2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid

C14H25N3O3 — CID 61265351

IUPAC2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
SMILESCC(C)(NC(=O)C1CCCN1C1CCNCC1)C(=O)O
InChIInChI=1S/C14H25N3O3/c1-14(2,13(19)20)16-12(18)11-4-3-9-17(11)10-5-7-15-8-6-10/h10-11,15H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyBEJUQGDJMQXDIJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.18
Rot. Bonds4

About 2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid

2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid (PubChem CID 61265351) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
PubChem CID61265351
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
SMILESCC(C)(NC(=O)C1CCCN1C1CCNCC1)C(=O)O
InChIInChI=1S/C14H25N3O3/c1-14(2,13(19)20)16-12(18)11-4-3-9-17(11)10-5-7-15-8-6-10/h10-11,15H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyBEJUQGDJMQXDIJ-UHFFFAOYSA-N
XLogP0.18
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106096512
2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
(2S)-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 78967717
N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 115360278
N-carbamoyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 79195257
(2S)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 61174368
(2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 79009572
N-[(1R)-1-cyclopentylethyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 81389308
1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 61020231
N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107418457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid (CID 61265351) is 2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid is CC(C)(NC(=O)C1CCCN1C1CCNCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid?
The InChIKey is BEJUQGDJMQXDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,13(19)20)16-12(18)11-4-3-9-17(11)10-5-7-15-8-6-10/h10-11,15H,3-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid?
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61265351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).