ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate

C11H22N2O4S — CID 79609481

IUPACethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
SMILESCCOC(=O)C(N)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-17-11(14)10(12)7-9-5-4-6-13(8-9)18(2,15)16/h9-10H,3-8,12H2,1-2H3
InChIKeyFHBCSEFOQDEWCU-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.06
Rot. Bonds5

About ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate

ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate (PubChem CID 79609481) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
PubChem CID79609481
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nameethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
SMILESCCOC(=O)C(N)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-17-11(14)10(12)7-9-5-4-6-13(8-9)18(2,15)16/h9-10H,3-8,12H2,1-2H3
InChIKeyFHBCSEFOQDEWCU-UHFFFAOYSA-N
XLogP-0.06
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79611825
3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine
CID 116717542
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-ol
CID 116711480
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610293
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
CID 115820309
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79623080
3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one
CID 116553484
1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105166960

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate (CID 79609481) is ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate is CCOC(=O)C(N)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate?
The InChIKey is FHBCSEFOQDEWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-17-11(14)10(12)7-9-5-4-6-13(8-9)18(2,15)16/h9-10H,3-8,12H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate?
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate has a molecular weight of 278.37 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate is sourced from PubChem (CID 79609481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).