1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid

C12H20N2O3 — CID 107071884

IUPAC1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
SMILESC=CC(C)NC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-4-9(3)13-12(17)14-7-5-6-8(2)10(14)11(15)16/h4,8-10H,1,5-7H2,2-3H3,(H,13,17)(H,15,16)
InChIKeyPKMRFSUHIYJAOP-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.46
Rot. Bonds3

About 1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid

1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071884) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107071884
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
SMILESC=CC(C)NC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-4-9(3)13-12(17)14-7-5-6-8(2)10(14)11(15)16/h4,8-10H,1,5-7H2,2-3H3,(H,13,17)(H,15,16)
InChIKeyPKMRFSUHIYJAOP-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid
CID 107071850
1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071445
3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071187
3-methyl-1-(pent-4-yn-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071880
3-methyl-1-(1-methylsulfinylpropan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071891
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
CID 107069723
3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599
3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 107071464
3-methyl-1-[2-(2-methylpropoxy)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 107071924
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069683
3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
CID 107070014

Frequently Asked Questions

What is the IUPAC name of 1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid (CID 107071884) is 1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid is C=CC(C)NC(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is PKMRFSUHIYJAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-9(3)13-12(17)14-7-5-6-8(2)10(14)11(15)16/h4,8-10H,1,5-7H2,2-3H3,(H,13,17)(H,15,16).
What are the key properties of 1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid?
1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).