ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate

C10H21NO2S — CID 115639047

IUPACethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)NC(C)CCSC
InChIInChI=1S/C10H21NO2S/c1-5-13-10(12)9(3)11-8(2)6-7-14-4/h8-9,11H,5-7H2,1-4H3
InChIKeyLVTSMORSNCRYGJ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.67
Rot. Bonds7

About ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate

ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate (PubChem CID 115639047) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate
PubChem CID115639047
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nameethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)NC(C)CCSC
InChIInChI=1S/C10H21NO2S/c1-5-13-10(12)9(3)11-8(2)6-7-14-4/h8-9,11H,5-7H2,1-4H3
InChIKeyLVTSMORSNCRYGJ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[[(3S)-3-amino-5-methylsulfanyl-2-oxopentanoyl]amino]propanoate
CID 20660325
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
3-[(1-ethoxy-1-oxopropan-2-yl)amino]butanoic acid
CID 61498801
2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide
CID 115639024
ethyl 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanoate
CID 106160495
ethyl 2-(3-ethylpentan-2-ylamino)propanoate
CID 63836704
methyl 2-bromo-3-(4-methylsulfanylbutan-2-ylamino)propanoate
CID 103265842
ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate
CID 63964742
ethyl 2-cyano-4-methylsulfanylbutanoate
CID 14585617
ethyl 2-[(2-chloroacetyl)amino]-4-methylsulfanylbutanoate
CID 12781048
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate?
The IUPAC name of ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate (CID 115639047) is ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate is CCOC(=O)C(C)NC(C)CCSC.
What is the InChIKey of ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate?
The InChIKey is LVTSMORSNCRYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-13-10(12)9(3)11-8(2)6-7-14-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate?
ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate has a molecular weight of 219.35 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate is sourced from PubChem (CID 115639047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).