methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate

C9H17NO3S — CID 79325776

IUPACmethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate
SMILESCCNC(CSC1COC1)C(=O)OC
InChIInChI=1S/C9H17NO3S/c1-3-10-8(9(11)12-2)6-14-7-4-13-5-7/h7-8,10H,3-6H2,1-2H3
InChIKeyNWBGPXNDNSIOJW-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.27
Rot. Bonds6

About methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate

methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate (PubChem CID 79325776) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate
PubChem CID79325776
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Namemethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate
SMILESCCNC(CSC1COC1)C(=O)OC
InChIInChI=1S/C9H17NO3S/c1-3-10-8(9(11)12-2)6-14-7-4-13-5-7/h7-8,10H,3-6H2,1-2H3
InChIKeyNWBGPXNDNSIOJW-UHFFFAOYSA-N
XLogP0.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate
CID 79326682
methyl 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propanoate
CID 63120085
methyl 3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 62989798
methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate
CID 79905208
2-(cyclopropylamino)-3-(oxetan-3-ylsulfanyl)propanoic acid
CID 79326126
1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79333006
N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79333935
ethyl 4-(oxetan-3-ylsulfanyl)-2-(propan-2-ylamino)butanoate
CID 79326117
methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387
ethyl 2-(oxetan-3-ylsulfanyl)propanoate
CID 79325692
ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate
CID 102607501
ethyl (E)-4-(oxetan-3-ylsulfanyl)but-2-enoate
CID 80546112

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate?
The IUPAC name of methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate (CID 79325776) is methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate is CCNC(CSC1COC1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate?
The InChIKey is NWBGPXNDNSIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-10-8(9(11)12-2)6-14-7-4-13-5-7/h7-8,10H,3-6H2,1-2H3.
What are the key properties of methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate?
methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate has a molecular weight of 219.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate is sourced from PubChem (CID 79325776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).