2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid

C13H23NO5S — CID 119193319

IUPAC2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H23NO5S/c1-10(2)7-14(8-13(16)17)12(15)9-20(18,19)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyNJRWMHLMPQIEOZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.91
Rot. Bonds7

About 2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid

2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 119193319) has the molecular formula C13H23NO5S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid
PubChem CID119193319
Molecular FormulaC13H23NO5S
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Name2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H23NO5S/c1-10(2)7-14(8-13(16)17)12(15)9-20(18,19)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyNJRWMHLMPQIEOZ-UHFFFAOYSA-N
XLogP0.91
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid
CID 55148404
2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid
CID 119192819
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
CID 119203343
N-cyclopentyl-2-cyclopentylsulfonyl-N-methylacetamide
CID 166187779
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[(3-cyclopentyl-2-methylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 119192685
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide
CID 96533216
2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid
CID 64552825
2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid
CID 105360726
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065796
3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide
CID 78883966

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid (CID 119193319) is 2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is NJRWMHLMPQIEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S/c1-10(2)7-14(8-13(16)17)12(15)9-20(18,19)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid?
2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 305.40 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).