2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid

C14H27NO5S — CID 122071257

IUPAC2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)CC(C)COC1CCCC1
InChIInChI=1S/C14H27NO5S/c1-3-8-15(9-14(16)17)21(18,19)11-12(2)10-20-13-6-4-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyGBLUNAUAXRDHLK-UHFFFAOYSA-N
MW321.44 g/mol
LogP1.71
Rot. Bonds10

About 2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid

2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid (PubChem CID 122071257) has the molecular formula C14H27NO5S and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid
PubChem CID122071257
Molecular FormulaC14H27NO5S
Molecular Weight321.44 g/mol
Exact Mass321.16
IUPAC Name2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)CC(C)COC1CCCC1
InChIInChI=1S/C14H27NO5S/c1-3-8-15(9-14(16)17)21(18,19)11-12(2)10-20-13-6-4-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyGBLUNAUAXRDHLK-UHFFFAOYSA-N
XLogP1.71
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid
CID 122071284
3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid
CID 122068314
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 122071685
2-[octyl(sulfo)amino]acetic acid
CID 88730489
2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid
CID 122072137
2-[(3-ethoxy-2-methylpropyl)sulfonyl-methylamino]acetic acid
CID 122067715
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid
CID 122071260
2-[dipropylsulfamoyl(ethyl)amino]acetic acid
CID 54900712
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
2-[(3-chloro-2-methylpropyl)sulfonyl-propylamino]-N-propylacetamide
CID 79585925

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid?
The IUPAC name of 2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid (CID 122071257) is 2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid?
The canonical SMILES for 2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid is CCCN(CC(=O)O)S(=O)(=O)CC(C)COC1CCCC1.
What is the InChIKey of 2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid?
The InChIKey is GBLUNAUAXRDHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5S/c1-3-8-15(9-14(16)17)21(18,19)11-12(2)10-20-13-6-4-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid?
2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid has a molecular weight of 321.44 g/mol, XLogP of 1.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid is sourced from PubChem (CID 122071257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).