3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid

C11H18N2O4 — CID 114897663

IUPAC3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C11H18N2O4/c1-6-3-4-8(9(12)14)5-13(6)10(15)7(2)11(16)17/h6-8H,3-5H2,1-2H3,(H2,12,14)(H,16,17)
InChIKeyIJNILMXIFSMCDN-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.18
Rot. Bonds3

About 3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid

3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid (PubChem CID 114897663) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
PubChem CID114897663
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C11H18N2O4/c1-6-3-4-8(9(12)14)5-13(6)10(15)7(2)11(16)17/h6-8H,3-5H2,1-2H3,(H2,12,14)(H,16,17)
InChIKeyIJNILMXIFSMCDN-UHFFFAOYSA-N
XLogP-0.18
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide
CID 113416223
1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide
CID 62727603
1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide
CID 61173936
(3R,6S)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598329
(3R,6R)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598327
3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897445
1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 62474841
1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 78984554
1-[2-(N'-hydroxycarbamimidoyl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 76925260
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
1-N-cyclopropyl-6-methylpiperidine-1,3-dicarboxamide
CID 115635337
(3R,6R)-1-[(2S)-2-(3,4-difluorophenoxy)propanoyl]-6-methylpiperidine-3-carboxamide
CID 98728668

Frequently Asked Questions

What is the IUPAC name of 3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid (CID 114897663) is 3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid is CC(C(=O)O)C(=O)N1CC(C(N)=O)CCC1C.
What is the InChIKey of 3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The InChIKey is IJNILMXIFSMCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-6-3-4-8(9(12)14)5-13(6)10(15)7(2)11(16)17/h6-8H,3-5H2,1-2H3,(H2,12,14)(H,16,17).
What are the key properties of 3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 114897663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).