1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid

C13H23NO3 — CID 104599075

IUPAC1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid
SMILESCOCC(C1CC1)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-13(12(15)16)7-3-4-8-14(13)11(9-17-2)10-5-6-10/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyIVPOUMGZMZSERD-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds5

About 1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid

1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104599075) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104599075
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid
SMILESCOCC(C1CC1)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-13(12(15)16)7-3-4-8-14(13)11(9-17-2)10-5-6-10/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyIVPOUMGZMZSERD-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid
CID 104599300
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
CID 104598716
1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984620
1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598114
2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 65071311
1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597364
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
CID 113431131
1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598472
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595518
1-heptan-3-yl-2-methylpiperidine-2-carboxylic acid
CID 104599181
1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104598283
1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597994

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid (CID 104599075) is 1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid is COCC(C1CC1)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is IVPOUMGZMZSERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(12(15)16)7-3-4-8-14(13)11(9-17-2)10-5-6-10/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid?
1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104599075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).