2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid

C15H29N3O3 — CID 65264201

IUPAC2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid
SMILESCN1CCCCC1CNC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-14(2,12(19)20)15(3,4)17-13(21)16-10-11-8-6-7-9-18(11)5/h11H,6-10H2,1-5H3,(H,19,20)(H2,16,17,21)
InChIKeyGXFMWFOWLUEEAI-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.66
Rot. Bonds5

About 2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid

2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid (PubChem CID 65264201) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid
PubChem CID65264201
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid
SMILESCN1CCCCC1CNC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-14(2,12(19)20)15(3,4)17-13(21)16-10-11-8-6-7-9-18(11)5/h11H,6-10H2,1-5H3,(H,19,20)(H2,16,17,21)
InChIKeyGXFMWFOWLUEEAI-UHFFFAOYSA-N
XLogP1.66
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]propanoic acid
CID 113308220
2-methyl-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114137834
2,2-dimethyl-4-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 106019819
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
2-methyl-2-(methylamino)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 62847121
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
3-(2-cyclohexylethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265907
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
2-(ethylamino)-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 62836518
(2S)-4-hydroxy-2-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114005552
1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 116655203
3-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266531

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid (CID 65264201) is 2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid is CN1CCCCC1CNC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is GXFMWFOWLUEEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-14(2,12(19)20)15(3,4)17-13(21)16-10-11-8-6-7-9-18(11)5/h11H,6-10H2,1-5H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid?
2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 65264201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).