2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

C14H22N4O6S — CID 129468965

IUPAC2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESCc1cc(C(=O)N2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)nn1C
InChIInChI=1S/C14H22N4O6S/c1-10-6-12(15-16(10)2)14(21)17-4-5-24-11(7-17)8-18(9-13(19)20)25(3,22)23/h6,11H,4-5,7-9H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyYJMQLJQSTCBFKZ-NSHDSACASA-N
MW374.42 g/mol
LogP-1.08
Rot. Bonds6

About 2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (PubChem CID 129468965) has the molecular formula C14H22N4O6S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
PubChem CID129468965
Molecular FormulaC14H22N4O6S
Molecular Weight374.42 g/mol
Exact Mass374.13
IUPAC Name2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESCc1cc(C(=O)N2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)nn1C
InChIInChI=1S/C14H22N4O6S/c1-10-6-12(15-16(10)2)14(21)17-4-5-24-11(7-17)8-18(9-13(19)20)25(3,22)23/h6,11H,4-5,7-9H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyYJMQLJQSTCBFKZ-NSHDSACASA-N
XLogP-1.08
TPSA122.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)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-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129325444
2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129324664
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
(1,5-dimethylpyrazol-3-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358801
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358800
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129323721
2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129323451
2-[[4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid;hydrochloride
CID 129008175
2-[[4-[(4-tert-butylphenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid;hydrochloride
CID 129006567

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The IUPAC name of 2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (CID 129468965) is 2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is Cc1cc(C(=O)N2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)nn1C.
What is the InChIKey of 2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The InChIKey is YJMQLJQSTCBFKZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O6S/c1-10-6-12(15-16(10)2)14(21)17-4-5-24-11(7-17)8-18(9-13(19)20)25(3,22)23/h6,11H,4-5,7-9H2,1-3H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid has a molecular weight of 374.42 g/mol, XLogP of -1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is sourced from PubChem (CID 129468965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).