methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate

C10H19N3O5S — CID 7663290

IUPACmethyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)[C@@H]1CNCCN1S(C)(=O)=O
InChIInChI=1S/C10H19N3O5S/c1-7(10(15)18-2)12-9(14)8-6-11-4-5-13(8)19(3,16)17/h7-8,11H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m1/s1
InChIKeyOUKBINLMJFXSFM-SFYZADRCSA-N
MW293.35 g/mol
LogP-2.10
Rot. Bonds4

About methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate

methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate (PubChem CID 7663290) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate
PubChem CID7663290
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC Namemethyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)[C@@H]1CNCCN1S(C)(=O)=O
InChIInChI=1S/C10H19N3O5S/c1-7(10(15)18-2)12-9(14)8-6-11-4-5-13(8)19(3,16)17/h7-8,11H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m1/s1
InChIKeyOUKBINLMJFXSFM-SFYZADRCSA-N
XLogP-2.10
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate (CID 7663290) is methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)[C@@H]1CNCCN1S(C)(=O)=O.
What is the InChIKey of methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate?
The InChIKey is OUKBINLMJFXSFM-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-7(10(15)18-2)12-9(14)8-6-11-4-5-13(8)19(3,16)17/h7-8,11H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m1/s1.
What are the key properties of methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate?
methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate has a molecular weight of 293.35 g/mol, XLogP of -2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 7663290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).