4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid

C14H24N2O5 — CID 103497433

IUPAC4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCOCC(=O)N1CCC(NC(=O)C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-9(10(2)14(19)20)13(18)15-11-4-6-16(7-5-11)12(17)8-21-3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyOFOWAISJEOQPQR-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.10
Rot. Bonds6

About 4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid

4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103497433) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103497433
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCOCC(=O)N1CCC(NC(=O)C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-9(10(2)14(19)20)13(18)15-11-4-6-16(7-5-11)12(17)8-21-3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyOFOWAISJEOQPQR-UHFFFAOYSA-N
XLogP0.10
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid with MolForge

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Related Compounds

2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241
5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62963865
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
CID 81076250
1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 103388974
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193
1-[4-(1-cyclopropylpropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 115720109
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553340
2-methoxy-1-[4-(2-methylpentylamino)piperidin-1-yl]ethanone
CID 43747502

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103497433) is 4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid is COCC(=O)N1CCC(NC(=O)C(C)C(C)C(=O)O)CC1.
What is the InChIKey of 4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is OFOWAISJEOQPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-9(10(2)14(19)20)13(18)15-11-4-6-16(7-5-11)12(17)8-21-3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103497433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).