4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid

C12H23N3O3 — CID 64889930

IUPAC4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid
SMILESCN1CCCC(N(C)C(=O)C(N)CCC(=O)O)C1
InChIInChI=1S/C12H23N3O3/c1-14-7-3-4-9(8-14)15(2)12(18)10(13)5-6-11(16)17/h9-10H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyAUOGFRULYDTCQH-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.27
Rot. Bonds5

About 4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid

4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid (PubChem CID 64889930) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid
PubChem CID64889930
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid
SMILESCN1CCCC(N(C)C(=O)C(N)CCC(=O)O)C1
InChIInChI=1S/C12H23N3O3/c1-14-7-3-4-9(8-14)15(2)12(18)10(13)5-6-11(16)17/h9-10H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyAUOGFRULYDTCQH-UHFFFAOYSA-N
XLogP-0.27
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
CID 64894822
4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
CID 64895995
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
CID 62547118
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
CID 62547378
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 62547194
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 94166116
2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60779990
2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
CID 62547851
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid (CID 64889930) is 4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid is CN1CCCC(N(C)C(=O)C(N)CCC(=O)O)C1.
What is the InChIKey of 4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid?
The InChIKey is AUOGFRULYDTCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-14-7-3-4-9(8-14)15(2)12(18)10(13)5-6-11(16)17/h9-10H,3-8,13H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid?
4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid has a molecular weight of 257.33 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64889930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).