4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid

C11H22N2O5S — CID 79556227

IUPAC4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H22N2O5S/c1-8(5-6-9(14)15)13-10(16)12-7-11(2,3)19(4,17)18/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyFSJNBAAMPZKPAR-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.36
Rot. Bonds7

About 4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid

4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid (PubChem CID 79556227) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid
PubChem CID79556227
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H22N2O5S/c1-8(5-6-9(14)15)13-10(16)12-7-11(2,3)19(4,17)18/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyFSJNBAAMPZKPAR-UHFFFAOYSA-N
XLogP0.36
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
CID 79555921
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 106279362
3-[[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]methyl]pentanoic acid
CID 81072041
3-hydroxy-3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)butanoic acid
CID 66003030
N-ethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]propanamide
CID 79551761
3-amino-4-[(2-methyl-2-methylsulfonylpropyl)amino]-4-oxobutanoic acid
CID 79550317
(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79551034
5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid
CID 106294846
4-(5,5,5-trifluoropentylcarbamoylamino)pentanoic acid
CID 115521411
4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid
CID 134182114
2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
CID 106110317
2-ethyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]butanoic acid
CID 79803525

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid (CID 79556227) is 4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid is CC(CCC(=O)O)NC(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid?
The InChIKey is FSJNBAAMPZKPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-8(5-6-9(14)15)13-10(16)12-7-11(2,3)19(4,17)18/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16).
What are the key properties of 4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid?
4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid has a molecular weight of 294.37 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 79556227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).