1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid

C14H24N2O5 — CID 104598109

IUPAC1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)CN(C(=O)N1CCCCC1(C)C(=O)O)C(C)C
InChIInChI=1S/C14H24N2O5/c1-10(2)15(9-11(17)21-4)13(20)16-8-6-5-7-14(16,3)12(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyFVYYBNPLDUNQEQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.32
Rot. Bonds4

About 1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598109) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598109
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)CN(C(=O)N1CCCCC1(C)C(=O)O)C(C)C
InChIInChI=1S/C14H24N2O5/c1-10(2)15(9-11(17)21-4)13(20)16-8-6-5-7-14(16,3)12(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyFVYYBNPLDUNQEQ-UHFFFAOYSA-N
XLogP1.32
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598114
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595518
1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597994
1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597906
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598019
2-methyl-1-[methyl(2-propan-2-yloxyethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598372
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
(2S)-1-methoxycarbonyl-2-methylpyrrolidine-2-carboxylic acid
CID 67496277
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104598109) is 1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid is COC(=O)CN(C(=O)N1CCCCC1(C)C(=O)O)C(C)C.
What is the InChIKey of 1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is FVYYBNPLDUNQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-10(2)15(9-11(17)21-4)13(20)16-8-6-5-7-14(16,3)12(18)19/h10H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).