1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid

C14H24N2O4 — CID 107069679

IUPAC1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CNC(=O)C(C)(C)C)C1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-9-6-5-7-16(11(9)12(18)19)10(17)8-15-13(20)14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyLJBFVQNWTDURPB-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds3

About 1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid

1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107069679) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107069679
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CNC(=O)C(C)(C)C)C1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-9-6-5-7-16(11(9)12(18)19)10(17)8-15-13(20)14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyLJBFVQNWTDURPB-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid
CID 43356114
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068932
1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069683
3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 107068807
1-(2,2-dimethylbutanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069694
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
(2R,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 163339159
1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069454
3-methyl-1-prop-2-ynoylpiperidine-2-carboxylic acid
CID 107069872
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068866

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid (CID 107069679) is 1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)CNC(=O)C(C)(C)C)C1C(=O)O.
What is the InChIKey of 1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is LJBFVQNWTDURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9-6-5-7-16(11(9)12(18)19)10(17)8-15-13(20)14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).