2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

C16H20N4O6S — CID 129325444

IUPAC2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1
InChIInChI=1S/C16H20N4O6S/c1-27(24,25)20(10-14(21)22)9-11-8-19(6-7-26-11)16(23)15-12-4-2-3-5-13(12)17-18-15/h2-5,11H,6-10H2,1H3,(H,17,18)(H,21,22)/t11-/m1/s1
InChIKeyYXYHPVAWDHZEPF-LLVKDONJSA-N
MW396.43 g/mol
LogP-0.25
Rot. Bonds6

About 2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (PubChem CID 129325444) has the molecular formula C16H20N4O6S and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
PubChem CID129325444
Molecular FormulaC16H20N4O6S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1
InChIInChI=1S/C16H20N4O6S/c1-27(24,25)20(10-14(21)22)9-11-8-19(6-7-26-11)16(23)15-12-4-2-3-5-13(12)17-18-15/h2-5,11H,6-10H2,1H3,(H,17,18)(H,21,22)/t11-/m1/s1
InChIKeyYXYHPVAWDHZEPF-LLVKDONJSA-N
XLogP-0.25
TPSA132.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic 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

1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 170858480
2-[methylsulfonyl-[[(2R)-4-(1,3-thiazole-4-carbonyl)morpholin-2-yl]methyl]amino]acetic acid
CID 129468401
2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129468965
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124950048
2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129324664
4-[(2S)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137106030
2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129008288
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
CID 129468924
2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129323721
1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 125012972

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The IUPAC name of 2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (CID 129325444) is 2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1.
What is the InChIKey of 2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The InChIKey is YXYHPVAWDHZEPF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N4O6S/c1-27(24,25)20(10-14(21)22)9-11-8-19(6-7-26-11)16(23)15-12-4-2-3-5-13(12)17-18-15/h2-5,11H,6-10H2,1H3,(H,17,18)(H,21,22)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid has a molecular weight of 396.43 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is sourced from PubChem (CID 129325444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).