2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid

C11H20N2O3 — CID 115164987

IUPAC2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCC(CC(=O)NC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(11(15)16)7-10(14)12-9-3-5-13(2)6-4-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyDVALDAXMWDTUGN-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds4

About 2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid

2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid (PubChem CID 115164987) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
PubChem CID115164987
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCC(CC(=O)NC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(11(15)16)7-10(14)12-9-3-5-13(2)6-4-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyDVALDAXMWDTUGN-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-(1-methylpiperidin-4-yl)butanamide
CID 103154332
N-(1-methylpiperidin-4-yl)-3-propan-2-yloxypropanamide
CID 142467334
2-hydroxy-N-(1-methylpiperidin-4-yl)propanamide
CID 115140450
2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
CID 61328994
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156
2-[(1-methylpiperidin-4-yl)carbamoylamino]pentanedioic acid
CID 61198418
2-[(1-methylpiperidin-4-yl)amino]-2-oxoacetic acid
CID 43444893
(2S)-2-hydroxy-3-[(1-methylpiperidin-4-yl)carbamoylamino]propanoic acid
CID 107838389
N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide
CID 110463372
5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62963713

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid (CID 115164987) is 2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid is CC(CC(=O)NC1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The InChIKey is DVALDAXMWDTUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(11(15)16)7-10(14)12-9-3-5-13(2)6-4-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 115164987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).