4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid

C14H26N2O6S — CID 119229868

IUPAC4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)OCCS(=O)(=O)NCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O6S/c1-10(2)22-7-8-23(20,21)15-9-13(17)16-12-5-3-11(4-6-12)14(18)19/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHSMDGBCBODFOHV-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.09
Rot. Bonds9

About 4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229868) has the molecular formula C14H26N2O6S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229868
Molecular FormulaC14H26N2O6S
Molecular Weight350.44 g/mol
Exact Mass350.15
IUPAC Name4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)OCCS(=O)(=O)NCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O6S/c1-10(2)22-7-8-23(20,21)15-9-13(17)16-12-5-3-11(4-6-12)14(18)19/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHSMDGBCBODFOHV-UHFFFAOYSA-N
XLogP0.09
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 120598489
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
N-(2-methylpiperidin-3-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 120573960
4-(2-propan-2-yloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113450614
N-cyclopropyl-2-(2-hydroxyethylsulfonylamino)acetamide
CID 79588879
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate
CID 115674517
N-cyclopropyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 60697253
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119572623
N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
CID 115674519
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid (CID 119229868) is 4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid is CC(C)OCCS(=O)(=O)NCC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HSMDGBCBODFOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6S/c1-10(2)22-7-8-23(20,21)15-9-13(17)16-12-5-3-11(4-6-12)14(18)19/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 350.44 g/mol, XLogP of 0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).