methyl 3-(cyclopropylmethylsulfonylamino)propanoate

C8H15NO4S — CID 64989493

IUPACmethyl 3-(cyclopropylmethylsulfonylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)CC1CC1
InChIInChI=1S/C8H15NO4S/c1-13-8(10)4-5-9-14(11,12)6-7-2-3-7/h7,9H,2-6H2,1H3
InChIKeyGGWUBUXALNRTMP-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.12
Rot. Bonds6

About methyl 3-(cyclopropylmethylsulfonylamino)propanoate

methyl 3-(cyclopropylmethylsulfonylamino)propanoate (PubChem CID 64989493) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is methyl 3-(cyclopropylmethylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylmethylsulfonylamino)propanoate
PubChem CID64989493
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Namemethyl 3-(cyclopropylmethylsulfonylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)CC1CC1
InChIInChI=1S/C8H15NO4S/c1-13-8(10)4-5-9-14(11,12)6-7-2-3-7/h7,9H,2-6H2,1H3
InChIKeyGGWUBUXALNRTMP-UHFFFAOYSA-N
XLogP-0.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropylmethylsulfonylamino)propanoate?
The IUPAC name of methyl 3-(cyclopropylmethylsulfonylamino)propanoate (CID 64989493) is methyl 3-(cyclopropylmethylsulfonylamino)propanoate.
What is the SMILES notation for methyl 3-(cyclopropylmethylsulfonylamino)propanoate?
The canonical SMILES for methyl 3-(cyclopropylmethylsulfonylamino)propanoate is COC(=O)CCNS(=O)(=O)CC1CC1.
What is the InChIKey of methyl 3-(cyclopropylmethylsulfonylamino)propanoate?
The InChIKey is GGWUBUXALNRTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-13-8(10)4-5-9-14(11,12)6-7-2-3-7/h7,9H,2-6H2,1H3.
What are the key properties of methyl 3-(cyclopropylmethylsulfonylamino)propanoate?
methyl 3-(cyclopropylmethylsulfonylamino)propanoate has a molecular weight of 221.28 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylmethylsulfonylamino)propanoate is sourced from PubChem (CID 64989493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).