1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid

C11H19NO4 — CID 104595518

IUPAC1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCOC(C)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-8(16-3)9(13)12-7-5-4-6-11(12,2)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyGRCAIMKLOWJBCG-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds3

About 1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid

1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595518) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104595518
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCOC(C)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-8(16-3)9(13)12-7-5-4-6-11(12,2)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyGRCAIMKLOWJBCG-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
CID 103513470
1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 67495534
(2S)-1-methoxycarbonyl-2-methylpyrrolidine-2-carboxylic acid
CID 67496277
1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598109
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915
2-methyl-1-(3-methylpentan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598027
methyl (2S)-2-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 58388106
1-(4,4-difluorocyclohexanecarbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594727
2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 104595515

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid (CID 104595518) is 1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid is COC(C)C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is GRCAIMKLOWJBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(16-3)9(13)12-7-5-4-6-11(12,2)10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid?
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).