2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

C16H23N3O6S — CID 129324664

IUPAC2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESCc1ccc(CC(=O)N2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)cn1
InChIInChI=1S/C16H23N3O6S/c1-12-3-4-13(8-17-12)7-15(20)18-5-6-25-14(9-18)10-19(11-16(21)22)26(2,23)24/h3-4,8,14H,5-7,9-11H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyQEBJABKZNSNKIO-AWEZNQCLSA-N
MW385.44 g/mol
LogP-0.49
Rot. Bonds7

About 2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (PubChem CID 129324664) has the molecular formula C16H23N3O6S and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
PubChem CID129324664
Molecular FormulaC16H23N3O6S
Molecular Weight385.44 g/mol
Exact Mass385.13
IUPAC Name2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESCc1ccc(CC(=O)N2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)cn1
InChIInChI=1S/C16H23N3O6S/c1-12-3-4-13(8-17-12)7-15(20)18-5-6-25-14(9-18)10-19(11-16(21)22)26(2,23)24/h3-4,8,14H,5-7,9-11H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyQEBJABKZNSNKIO-AWEZNQCLSA-N
XLogP-0.49
TPSA117.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

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
2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129008288
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
2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129325444
2-[[4-[(4-tert-butylphenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid;hydrochloride
CID 129006567
2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 97006454
N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide
CID 3826695
2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129323451
1-[(3S)-3-methylpiperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 125134639
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The IUPAC name of 2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (CID 129324664) is 2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is Cc1ccc(CC(=O)N2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)cn1.
What is the InChIKey of 2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The InChIKey is QEBJABKZNSNKIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O6S/c1-12-3-4-13(8-17-12)7-15(20)18-5-6-25-14(9-18)10-19(11-16(21)22)26(2,23)24/h3-4,8,14H,5-7,9-11H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid has a molecular weight of 385.44 g/mol, XLogP of -0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is sourced from PubChem (CID 129324664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).