methyl (2S)-2-(cyclopropylsulfonylamino)propanoate

C7H13NO4S — CID 53315615

IUPACmethyl (2S)-2-(cyclopropylsulfonylamino)propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)C1CC1
InChIInChI=1S/C7H13NO4S/c1-5(7(9)12-2)8-13(10,11)6-3-4-6/h5-6,8H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyDPJBOTBNIDYHAP-YFKPBYRVSA-N
MW207.25 g/mol
LogP-0.37
Rot. Bonds4

About methyl (2S)-2-(cyclopropylsulfonylamino)propanoate

methyl (2S)-2-(cyclopropylsulfonylamino)propanoate (PubChem CID 53315615) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is methyl (2S)-2-(cyclopropylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(cyclopropylsulfonylamino)propanoate
PubChem CID53315615
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Namemethyl (2S)-2-(cyclopropylsulfonylamino)propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)C1CC1
InChIInChI=1S/C7H13NO4S/c1-5(7(9)12-2)8-13(10,11)6-3-4-6/h5-6,8H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyDPJBOTBNIDYHAP-YFKPBYRVSA-N
XLogP-0.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(cyclopropylsulfonylamino)propanoate?
The IUPAC name of methyl (2S)-2-(cyclopropylsulfonylamino)propanoate (CID 53315615) is methyl (2S)-2-(cyclopropylsulfonylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(cyclopropylsulfonylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(cyclopropylsulfonylamino)propanoate is COC(=O)[C@H](C)NS(=O)(=O)C1CC1.
What is the InChIKey of methyl (2S)-2-(cyclopropylsulfonylamino)propanoate?
The InChIKey is DPJBOTBNIDYHAP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-5(7(9)12-2)8-13(10,11)6-3-4-6/h5-6,8H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of methyl (2S)-2-(cyclopropylsulfonylamino)propanoate?
methyl (2S)-2-(cyclopropylsulfonylamino)propanoate has a molecular weight of 207.25 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(cyclopropylsulfonylamino)propanoate is sourced from PubChem (CID 53315615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).