4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid

C16H20N2O5S — CID 120660467

IUPAC4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid
SMILESCC(C)CC(CNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)O
InChIInChI=1S/C16H20N2O5S/c1-10(2)7-12(16(20)21)9-17-24(22,23)13-4-5-14-11(8-13)3-6-15(19)18-14/h3-6,8,10,12,17H,7,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZYLCBDJEHHYPII-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.55
Rot. Bonds7

About 4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid

4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid (PubChem CID 120660467) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid
PubChem CID120660467
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid
SMILESCC(C)CC(CNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)O
InChIInChI=1S/C16H20N2O5S/c1-10(2)7-12(16(20)21)9-17-24(22,23)13-4-5-14-11(8-13)3-6-15(19)18-14/h3-6,8,10,12,17H,7,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZYLCBDJEHHYPII-UHFFFAOYSA-N
XLogP1.55
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic 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

4-methyl-2-[[(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 120660441
2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide
CID 22548573
4-methyl-2-[[(3-propanoylphenyl)sulfonylamino]methyl]pentanoic acid
CID 120660695
N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22576560
2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660469
N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548598
2-[[(3-chloro-5-fluorophenyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660622
(2R)-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
CID 92712465
methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
CID 126458941
4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid
CID 120660404
N-cyclohexyl-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46275014
2-[[[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660555

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid (CID 120660467) is 4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid is CC(C)CC(CNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid?
The InChIKey is ZYLCBDJEHHYPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-10(2)7-12(16(20)21)9-17-24(22,23)13-4-5-14-11(8-13)3-6-15(19)18-14/h3-6,8,10,12,17H,7,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid?
4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid has a molecular weight of 352.41 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid is sourced from PubChem (CID 120660467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).