1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid

C10H17NO4 — CID 82223955

IUPAC1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
SMILESCOC(=O)C(C)N1CCCCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-7(10(14)15-2)11-6-4-3-5-8(11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyFAHIPDNBAFMYGP-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.49
Rot. Bonds3

About 1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid

1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid (PubChem CID 82223955) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
PubChem CID82223955
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
SMILESCOC(=O)C(C)N1CCCCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-7(10(14)15-2)11-6-4-3-5-8(11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyFAHIPDNBAFMYGP-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid
CID 64564332
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate
CID 102329917
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440976
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859270
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64564093
1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857629
(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923146
(2R)-1-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid
CID 79034494

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid (CID 82223955) is 1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid is COC(=O)C(C)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid?
The InChIKey is FAHIPDNBAFMYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(10(14)15-2)11-6-4-3-5-8(11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid?
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 82223955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).