4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid

C13H23N3O4 — CID 64887967

IUPAC4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
SMILESCN(C)C(=O)C1CCN(C(=O)C(N)CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-15(2)12(19)9-5-7-16(8-6-9)13(20)10(14)3-4-11(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)
InChIKeyBIGRBVZNWPDTKX-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.49
Rot. Bonds5

About 4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid

4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid (PubChem CID 64887967) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
PubChem CID64887967
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
SMILESCN(C)C(=O)C1CCN(C(=O)C(N)CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-15(2)12(19)9-5-7-16(8-6-9)13(20)10(14)3-4-11(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)
InChIKeyBIGRBVZNWPDTKX-UHFFFAOYSA-N
XLogP-0.49
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79024849
1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 62474132
4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64890678
1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61162789
4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid
CID 64890724
4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid
CID 64888155
4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
CID 113417412
1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 107471562
4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 64895022
1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 64889550
1-(4-hydroxypentanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200487

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid (CID 64887967) is 4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid is CN(C)C(=O)C1CCN(C(=O)C(N)CCC(=O)O)CC1.
What is the InChIKey of 4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is BIGRBVZNWPDTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-15(2)12(19)9-5-7-16(8-6-9)13(20)10(14)3-4-11(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid?
4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 64887967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).