1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid

C12H18N2O3 — CID 106315700

IUPAC1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1=CCCN(C(=O)NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H18N2O3/c1-9-4-2-7-14(8-9)11(17)13-12(10(15)16)5-3-6-12/h4H,2-3,5-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyGLIGWDNAUZVBED-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.36
Rot. Bonds2

About 1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 106315700) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID106315700
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1=CCCN(C(=O)NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H18N2O3/c1-9-4-2-7-14(8-9)11(17)13-12(10(15)16)5-3-6-12/h4H,2-3,5-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyGLIGWDNAUZVBED-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.36
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

1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 106316274
1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106315949
1-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 81156480
N-cyclohexyl-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 106313541
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 61405040
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
1-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81162430
1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81163145
1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81162733
1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161145
1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 106320604

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 106315700) is 1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid is CC1=CCCN(C(=O)NC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is GLIGWDNAUZVBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-4-2-7-14(8-9)11(17)13-12(10(15)16)5-3-6-12/h4H,2-3,5-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106315700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).