1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid

C12H23N3O3 — CID 81163246

IUPAC1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCN(C)C(C)(C)CNC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H23N3O3/c1-11(2,15(3)4)8-13-10(18)14-12(9(16)17)6-5-7-12/h5-8H2,1-4H3,(H,16,17)(H2,13,14,18)
InChIKeyVXNOWULHOAYMAG-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.63
Rot. Bonds5

About 1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid

1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81163246) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81163246
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCN(C)C(C)(C)CNC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H23N3O3/c1-11(2,15(3)4)8-13-10(18)14-12(9(16)17)6-5-7-12/h5-8H2,1-4H3,(H,16,17)(H2,13,14,18)
InChIKeyVXNOWULHOAYMAG-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463181
1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106279269
1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163265
1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 103463422
1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114943563
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 79854548
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60940390
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62635853
1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162661

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid (CID 81163246) is 1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid is CN(C)C(C)(C)CNC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is VXNOWULHOAYMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-11(2,15(3)4)8-13-10(18)14-12(9(16)17)6-5-7-12/h5-8H2,1-4H3,(H,16,17)(H2,13,14,18).
What are the key properties of 1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid?
1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).