2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid

C15H17N3O6S — CID 18685833

IUPAC2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid
SMILESCn1cc(C(=O)NCC(NS(C)(=O)=O)C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C15H17N3O6S/c1-18-8-10(13(19)9-5-3-4-6-12(9)18)14(20)16-7-11(15(21)22)17-25(2,23)24/h3-6,8,11,17H,7H2,1-2H3,(H,16,20)(H,21,22)
InChIKeyUJHJGBOFSBHKSY-UHFFFAOYSA-N
MW367.38 g/mol
LogP-0.73
Rot. Bonds6

About 2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid

2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid (PubChem CID 18685833) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid
PubChem CID18685833
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid
SMILESCn1cc(C(=O)NCC(NS(C)(=O)=O)C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C15H17N3O6S/c1-18-8-10(13(19)9-5-3-4-6-12(9)18)14(20)16-7-11(15(21)22)17-25(2,23)24/h3-6,8,11,17H,7H2,1-2H3,(H,16,20)(H,21,22)
InChIKeyUJHJGBOFSBHKSY-UHFFFAOYSA-N
XLogP-0.73
TPSA134.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

N-ethyl-1-methylindole-3-carboxamide
CID 25348690
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 22626886
N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
CID 115271613
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608
2-(1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
CID 70512999
1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide
CID 97243081
3-[[1-methyl-4-oxo-7-[(1,2,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinoline-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22626883
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30131803
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid (CID 18685833) is 2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid is Cn1cc(C(=O)NCC(NS(C)(=O)=O)C(=O)O)c(=O)c2ccccc21.
What is the InChIKey of 2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid?
The InChIKey is UJHJGBOFSBHKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-18-8-10(13(19)9-5-3-4-6-12(9)18)14(20)16-7-11(15(21)22)17-25(2,23)24/h3-6,8,11,17H,7H2,1-2H3,(H,16,20)(H,21,22).
What are the key properties of 2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid?
2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid has a molecular weight of 367.38 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-3-[(1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 18685833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).