2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid

C12H22N2O5S — CID 61071499

IUPAC2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCS(=O)(=O)NCCNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H22N2O5S/c1-20(18,19)14-7-6-13-10(15)8-12(9-11(16)17)4-2-3-5-12/h14H,2-9H2,1H3,(H,13,15)(H,16,17)
InChIKeyKPQZTCSNLYHGAI-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.08
Rot. Bonds8

About 2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61071499) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61071499
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCS(=O)(=O)NCCNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H22N2O5S/c1-20(18,19)14-7-6-13-10(15)8-12(9-11(16)17)4-2-3-5-12/h14H,2-9H2,1H3,(H,13,15)(H,16,17)
InChIKeyKPQZTCSNLYHGAI-UHFFFAOYSA-N
XLogP0.08
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43546068
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350
2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 79851894
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62641050
2-[1-[2-[3-[methyl(propan-2-yl)amino]propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032490
2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 115686502
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861
2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106234667
2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 106305188
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61071499) is 2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid is CS(=O)(=O)NCCNC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is KPQZTCSNLYHGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-20(18,19)14-7-6-13-10(15)8-12(9-11(16)17)4-2-3-5-12/h14H,2-9H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 306.38 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).