(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid

C13H19N3O5S — CID 119369262

IUPAC(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C13H19N3O5S/c1-9(2)12(13(18)19)15-11(17)8-16(3)22(20,21)10-5-4-6-14-7-10/h4-7,9,12H,8H2,1-3H3,(H,15,17)(H,18,19)/t12-/m1/s1
InChIKeySHLCEUUECCBCEG-GFCCVEGCSA-N
MW329.38 g/mol
LogP-0.07
Rot. Bonds7

About (2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid

(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid (PubChem CID 119369262) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
PubChem CID119369262
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC Name(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C13H19N3O5S/c1-9(2)12(13(18)19)15-11(17)8-16(3)22(20,21)10-5-4-6-14-7-10/h4-7,9,12H,8H2,1-3H3,(H,15,17)(H,18,19)/t12-/m1/s1
InChIKeySHLCEUUECCBCEG-GFCCVEGCSA-N
XLogP-0.07
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid with MolForge

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668921
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
CID 120830025
N-[furan-2-yl(phenyl)methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668935
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 119357610
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 55663160
N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 55683377
2-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526439
(2S)-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 20582824

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid (CID 119369262) is (2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid is CC(C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid?
The InChIKey is SHLCEUUECCBCEG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-9(2)12(13(18)19)15-11(17)8-16(3)22(20,21)10-5-4-6-14-7-10/h4-7,9,12H,8H2,1-3H3,(H,15,17)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid?
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid has a molecular weight of 329.38 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid is sourced from PubChem (CID 119369262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).