(2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid

C11H18N4O3S — CID 126447208

IUPAC(2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](NC(=O)Cn1nc(C)cc1N)C(=O)O
InChIInChI=1S/C11H18N4O3S/c1-7-5-9(12)15(14-7)6-10(16)13-8(11(17)18)3-4-19-2/h5,8H,3-4,6,12H2,1-2H3,(H,13,16)(H,17,18)/t8-/m1/s1
InChIKeyGOHYPSSEEWPIOK-MRVPVSSYSA-N
MW286.36 g/mol
LogP0.10
Rot. Bonds7

About (2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid

(2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid (PubChem CID 126447208) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is (2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
PubChem CID126447208
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name(2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](NC(=O)Cn1nc(C)cc1N)C(=O)O
InChIInChI=1S/C11H18N4O3S/c1-7-5-9(12)15(14-7)6-10(16)13-8(11(17)18)3-4-19-2/h5,8H,3-4,6,12H2,1-2H3,(H,13,16)(H,17,18)/t8-/m1/s1
InChIKeyGOHYPSSEEWPIOK-MRVPVSSYSA-N
XLogP0.10
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid with MolForge

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Related Compounds

(2S)-4-methylsulfanyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 51048855
(2R)-4-methylsulfanyl-2-[[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetyl]amino]butanoic acid
CID 95394952
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215
(2R)-2-[[2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 95395343
2-(5-amino-3-methylpyrazol-1-yl)-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]acetamide
CID 99985610
(2S)-2-[[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 110836949
(2S)-2-[(2-hydroxyacetyl)amino]-4-methylsulfanylbutanoic acid
CID 162512834
2-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 50877606
(2S)-2-(carboxyamino)-4-methylsulfanylbutanoic acid;zinc
CID 174928260
2-[[2-(3-methylphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 62389198
(2R)-2-[[2-(3-methylphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 104906532

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid (CID 126447208) is (2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid is CSCC[C@@H](NC(=O)Cn1nc(C)cc1N)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid?
The InChIKey is GOHYPSSEEWPIOK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-7-5-9(12)15(14-7)6-10(16)13-8(11(17)18)3-4-19-2/h5,8H,3-4,6,12H2,1-2H3,(H,13,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid?
(2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid has a molecular weight of 286.36 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 126447208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).