1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C13H24N2O5S — CID 63861747

IUPAC1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(CNC(=O)CC1(C(=O)O)CCCC1)NS(C)(=O)=O
InChIInChI=1S/C13H24N2O5S/c1-12(2,15-21(3,19)20)9-14-10(16)8-13(11(17)18)6-4-5-7-13/h15H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyWEWPGHLQQQECOK-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.47
Rot. Bonds7

About 1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 63861747) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID63861747
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(CNC(=O)CC1(C(=O)O)CCCC1)NS(C)(=O)=O
InChIInChI=1S/C13H24N2O5S/c1-12(2,15-21(3,19)20)9-14-10(16)8-13(11(17)18)6-4-5-7-13/h15H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyWEWPGHLQQQECOK-UHFFFAOYSA-N
XLogP0.47
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 104678245
1-[2-(2,2-dimethylbutylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 103460264
1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide
CID 63863931
1-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 65108421
1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60940390
1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43546068
1-[2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 104623085
1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163265
1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 54906188
1-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106244318
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 63861747) is 1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CC(C)(CNC(=O)CC1(C(=O)O)CCCC1)NS(C)(=O)=O.
What is the InChIKey of 1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is WEWPGHLQQQECOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-12(2,15-21(3,19)20)9-14-10(16)8-13(11(17)18)6-4-5-7-13/h15H,4-9H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63861747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).