1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid

C13H24N2O4 — CID 114278573

IUPAC1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid
SMILESCCOCC(C)NC(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C13H24N2O4/c1-4-19-8-10(3)14-13(18)15-6-5-11(12(16)17)9(2)7-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyGZCODOXAPFORKL-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.16
Rot. Bonds5

About 1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid

1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid (PubChem CID 114278573) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid
PubChem CID114278573
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid
SMILESCCOCC(C)NC(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C13H24N2O4/c1-4-19-8-10(3)14-13(18)15-6-5-11(12(16)17)9(2)7-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyGZCODOXAPFORKL-UHFFFAOYSA-N
XLogP1.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxypropan-2-ylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383765
3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62210649
3-methyl-1-[[(2S)-1,1,1-trifluorobutan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 146108336
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 114278516
3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 130516067
1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63127386
(3S,4S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085897
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 55230725
(2S,4S)-1-(1-ethoxypropan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714650
4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63720250
(3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide
CID 97030100
3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
CID 114278565

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid (CID 114278573) is 1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid is CCOCC(C)NC(=O)N1CCC(C(=O)O)C(C)C1.
What is the InChIKey of 1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid?
The InChIKey is GZCODOXAPFORKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-19-8-10(3)14-13(18)15-6-5-11(12(16)17)9(2)7-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid?
1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114278573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).