methyl 2-(3-methylsulfonylpropanoylamino)acetate

C7H13NO5S — CID 43623270

IUPACmethyl 2-(3-methylsulfonylpropanoylamino)acetate
SMILESCOC(=O)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H13NO5S/c1-13-7(10)5-8-6(9)3-4-14(2,11)12/h3-5H2,1-2H3,(H,8,9)
InChIKeyWMNTXWGIVLNQBX-UHFFFAOYSA-N
MW223.25 g/mol
LogP-1.29
Rot. Bonds5

About methyl 2-(3-methylsulfonylpropanoylamino)acetate

methyl 2-(3-methylsulfonylpropanoylamino)acetate (PubChem CID 43623270) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 2-(3-methylsulfonylpropanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methylsulfonylpropanoylamino)acetate
PubChem CID43623270
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Namemethyl 2-(3-methylsulfonylpropanoylamino)acetate
SMILESCOC(=O)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H13NO5S/c1-13-7(10)5-8-6(9)3-4-14(2,11)12/h3-5H2,1-2H3,(H,8,9)
InChIKeyWMNTXWGIVLNQBX-UHFFFAOYSA-N
XLogP-1.29
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-methylsulfonylpropanoylamino)propanoate
CID 55029430
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
N-ethyl-3-methylsulfonylpropanamide
CID 60759343
methyl 3-[3-[(2-methoxy-2-oxoethyl)amino]-3-oxopropyl]sulfanylpropanoate
CID 130272723
methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]acetate
CID 60914301
methyl 2-(4-methoxybutanoylamino)acetate
CID 112729446
methyl 2-(pent-4-enoylamino)acetate
CID 59153848
3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726141
methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate
CID 62954646
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
3-methylsulfonylpropanoylcarbamic acid
CID 117126700
3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 131910089

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylsulfonylpropanoylamino)acetate?
The IUPAC name of methyl 2-(3-methylsulfonylpropanoylamino)acetate (CID 43623270) is methyl 2-(3-methylsulfonylpropanoylamino)acetate.
What is the SMILES notation for methyl 2-(3-methylsulfonylpropanoylamino)acetate?
The canonical SMILES for methyl 2-(3-methylsulfonylpropanoylamino)acetate is COC(=O)CNC(=O)CCS(C)(=O)=O.
What is the InChIKey of methyl 2-(3-methylsulfonylpropanoylamino)acetate?
The InChIKey is WMNTXWGIVLNQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-13-7(10)5-8-6(9)3-4-14(2,11)12/h3-5H2,1-2H3,(H,8,9).
What are the key properties of methyl 2-(3-methylsulfonylpropanoylamino)acetate?
methyl 2-(3-methylsulfonylpropanoylamino)acetate has a molecular weight of 223.25 g/mol, XLogP of -1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylsulfonylpropanoylamino)acetate is sourced from PubChem (CID 43623270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).