4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid

C10H16N2O4 — CID 64655943

IUPAC4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
SMILESCN1CC(NC(=O)CCC(=O)O)CCC1=O
InChIInChI=1S/C10H16N2O4/c1-12-6-7(2-4-9(12)14)11-8(13)3-5-10(15)16/h7H,2-6H2,1H3,(H,11,13)(H,15,16)
InChIKeyJIUGBRRYLVQXCC-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.41
Rot. Bonds4

About 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid

4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid (PubChem CID 64655943) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
PubChem CID64655943
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
SMILESCN1CC(NC(=O)CCC(=O)O)CCC1=O
InChIInChI=1S/C10H16N2O4/c1-12-6-7(2-4-9(12)14)11-8(13)3-5-10(15)16/h7H,2-6H2,1H3,(H,11,13)(H,15,16)
InChIKeyJIUGBRRYLVQXCC-UHFFFAOYSA-N
XLogP-0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64670248
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64667845
tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
CID 106707504
4-(2-aminoethyl)-5-methyl-N-(1-methyl-6-oxopiperidin-3-yl)hexanamide
CID 64669409
3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
3-benzylsulfanyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 135089627
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494
3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 75494351
3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
CID 64668234
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
3-cyclopropyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 82003067

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid (CID 64655943) is 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid is CN1CC(NC(=O)CCC(=O)O)CCC1=O.
What is the InChIKey of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid?
The InChIKey is JIUGBRRYLVQXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-12-6-7(2-4-9(12)14)11-8(13)3-5-10(15)16/h7H,2-6H2,1H3,(H,11,13)(H,15,16).
What are the key properties of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid?
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 64655943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).