(4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid

C17H31N3O3 — CID 21060521

IUPAC(4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid
SMILESCC(C[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)O
InChIInChI=1S/C17H31N3O3/c1-12(17(22)23)11-15(18)16(21)20-9-5-14(6-10-20)13-3-7-19(2)8-4-13/h12-15H,3-11,18H2,1-2H3,(H,22,23)/t12?,15-/m1/s1
InChIKeyISXASNHAEHUAIY-WPZCJLIBSA-N
MW325.45 g/mol
LogP1.00
Rot. Bonds5

About (4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid

(4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid (PubChem CID 21060521) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is (4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid
PubChem CID21060521
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name(4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid
SMILESCC(C[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)O
InChIInChI=1S/C17H31N3O3/c1-12(17(22)23)11-15(18)16(21)20-9-5-14(6-10-20)13-3-7-19(2)8-4-13/h12-15H,3-11,18H2,1-2H3,(H,22,23)/t12?,15-/m1/s1
InChIKeyISXASNHAEHUAIY-WPZCJLIBSA-N
XLogP1.00
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid with MolForge

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Related Compounds

3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid
CID 16098234
3-[(2S,5S)-5-[(2S)-butan-2-yl]-3,6-dioxopiperazin-2-yl]propanoic acid
CID 163109468
Cyclo-(L-Leu-N-ethyl-L-Glu)
CID 170989636
(S)-5-Oxo-2-pentylamino-5-[4-(3-piperidin-4-yl-propyl)-piperidin-1-yl]-pentanoic acid
CID 44279775
5-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 11943350
4-Amino-5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 64888148
4-Amino-5-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 65537804
5-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methylamino]-5-oxopentanoic acid
CID 11943346
(4R)-4-amino-5-(8-azaspiro[4.5]decan-8-yl)-5-oxopentanoic acid
CID 15719687
(4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
CID 18654101
4-Amino-5-(8-azaspiro[4.5]decan-8-yl)-5-oxopentanoic acid
CID 18982152
1-Oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid
CID 19814209

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of (4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid (CID 21060521) is (4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for (4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for (4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid is CC(C[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)O.
What is the InChIKey of (4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is ISXASNHAEHUAIY-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-12(17(22)23)11-15(18)16(21)20-9-5-14(6-10-20)13-3-7-19(2)8-4-13/h12-15H,3-11,18H2,1-2H3,(H,22,23)/t12?,15-/m1/s1.
What are the key properties of (4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid?
(4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 325.45 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 21060521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).