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

C11H21N3O5S — CID 81163265

IUPAC1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCC(C)(CNC(=O)NC1(C(=O)O)CCC1)NS(C)(=O)=O
InChIInChI=1S/C11H21N3O5S/c1-10(2,14-20(3,18)19)7-12-9(17)13-11(8(15)16)5-4-6-11/h14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyFHMYJORZONIPBU-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.38
Rot. Bonds6

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

1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81163265) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81163265
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCC(C)(CNC(=O)NC1(C(=O)O)CCC1)NS(C)(=O)=O
InChIInChI=1S/C11H21N3O5S/c1-10(2,14-20(3,18)19)7-12-9(17)13-11(8(15)16)5-4-6-11/h14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyFHMYJORZONIPBU-UHFFFAOYSA-N
XLogP-0.38
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163246
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-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63861747
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
1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide
CID 63863931
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 104678245
1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162661

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid (CID 81163265) is 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid is CC(C)(CNC(=O)NC1(C(=O)O)CCC1)NS(C)(=O)=O.
What is the InChIKey of 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is FHMYJORZONIPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-10(2,14-20(3,18)19)7-12-9(17)13-11(8(15)16)5-4-6-11/h14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17).
What are the key properties of 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid?
1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of -0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).