ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate

C10H21NO2S — CID 63964742

IUPACethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate
SMILESCCOC(=O)C(C)NCC(C)CSC
InChIInChI=1S/C10H21NO2S/c1-5-13-10(12)9(3)11-6-8(2)7-14-4/h8-9,11H,5-7H2,1-4H3
InChIKeyYUVZFXHDYQNTKM-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.53
Rot. Bonds7

About ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate

ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate (PubChem CID 63964742) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate
PubChem CID63964742
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nameethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate
SMILESCCOC(=O)C(C)NCC(C)CSC
InChIInChI=1S/C10H21NO2S/c1-5-13-10(12)9(3)11-6-8(2)7-14-4/h8-9,11H,5-7H2,1-4H3
InChIKeyYUVZFXHDYQNTKM-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide
CID 63966960
ethyl 2-[(3-methyl-2-propan-2-ylbutyl)amino]propanoate
CID 102905223
ethyl 2-(2-ethoxypropylamino)propanoate
CID 115663940
ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate
CID 61498686
ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]-2-oxoacetate
CID 63960113
ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate
CID 106115101
ethyl 3,3-dimethyl-2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]butanoate
CID 116538089
CID 172703702
CID 172703702
ethyl 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanoate
CID 106160495
ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate (CID 63964742) is ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate is CCOC(=O)C(C)NCC(C)CSC.
What is the InChIKey of ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate?
The InChIKey is YUVZFXHDYQNTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-13-10(12)9(3)11-6-8(2)7-14-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate?
ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate has a molecular weight of 219.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate is sourced from PubChem (CID 63964742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).