1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid

C13H23N3O3 — CID 81162898

IUPAC1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESCN1CCCC(CNC(=O)NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H23N3O3/c1-16-7-2-4-10(9-16)8-14-12(19)15-13(11(17)18)5-3-6-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyZMARMIZKSLDFTO-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.63
Rot. Bonds4

About 1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid

1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81162898) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81162898
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESCN1CCCC(CNC(=O)NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H23N3O3/c1-16-7-2-4-10(9-16)8-14-12(19)15-13(11(17)18)5-3-6-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyZMARMIZKSLDFTO-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61206220
1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162661
1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000516
1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035175
1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 125438462
1-[(3-methylcyclopentyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107414521
1-(1-bicyclo[2.2.1]heptanyl)-3-[(1-methylazepan-3-yl)methyl]urea
CID 138051799
1-[(1-methylpiperidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61223429
4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292855
2,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 115428664
methyl 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184300
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid (CID 81162898) is 1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid is CN1CCCC(CNC(=O)NC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is ZMARMIZKSLDFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-16-7-2-4-10(9-16)8-14-12(19)15-13(11(17)18)5-3-6-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).