2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid

C13H22N2O4 — CID 114898097

IUPAC2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
SMILESCC(C)C(=O)N1CCC(NC(=O)C(C)C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-8(2)12(17)15-6-4-10(5-7-15)14-11(16)9(3)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyOFHIZGLXULKODS-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.47
Rot. Bonds4

About 2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid

2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid (PubChem CID 114898097) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
PubChem CID114898097
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
SMILESCC(C)C(=O)N1CCC(NC(=O)C(C)C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-8(2)12(17)15-6-4-10(5-7-15)14-11(16)9(3)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyOFHIZGLXULKODS-UHFFFAOYSA-N
XLogP0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.47
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

3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114898933
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
CID 43711887
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 127236629
2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 43747773
2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
CID 108567264
N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 55149500
(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide
CID 103808776
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
2-benzyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542896

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid?
The IUPAC name of 2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid (CID 114898097) is 2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid.
What is the SMILES notation for 2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid?
The canonical SMILES for 2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid is CC(C)C(=O)N1CCC(NC(=O)C(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid?
The InChIKey is OFHIZGLXULKODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(2)12(17)15-6-4-10(5-7-15)14-11(16)9(3)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,16)(H,18,19).
What are the key properties of 2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid?
2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid is sourced from PubChem (CID 114898097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).