1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate

C13H26N2O3S — CID 59117409

IUPAC1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate
SMILESCN[C@@H](CCSC)C(=O)OC(C)CN1CCOCC1
InChIInChI=1S/C13H26N2O3S/c1-11(10-15-5-7-17-8-6-15)18-13(16)12(14-2)4-9-19-3/h11-12,14H,4-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyJRLXZBWDQPRXTH-KIYNQFGBSA-N
MW290.43 g/mol
LogP0.59
Rot. Bonds8

About 1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate

1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate (PubChem CID 59117409) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate
PubChem CID59117409
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate
SMILESCN[C@@H](CCSC)C(=O)OC(C)CN1CCOCC1
InChIInChI=1S/C13H26N2O3S/c1-11(10-15-5-7-17-8-6-15)18-13(16)12(14-2)4-9-19-3/h11-12,14H,4-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyJRLXZBWDQPRXTH-KIYNQFGBSA-N
XLogP0.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(methylamino)-4-methylsulfanylbutanoate
CID 23436119
(2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine
CID 22689698
methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate
CID 3285258
1-morpholin-4-ylpropan-2-yl (2S)-2-[[4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoate
CID 57146115
N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide
CID 115640219
(2S)-4-methylsulfanyl-2-(2-morpholin-4-ylethylcarbamoylamino)butanoic acid
CID 2017769
1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
CID 58855471
2-(methylamino)-4-morpholin-4-ylbutanoic acid
CID 63029138
4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 103087400
(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
(2R)-4-methylsulfanyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 28783968
(2S)-4-methylsulfanyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 28783970

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate (CID 59117409) is 1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate is CN[C@@H](CCSC)C(=O)OC(C)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate?
The InChIKey is JRLXZBWDQPRXTH-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11(10-15-5-7-17-8-6-15)18-13(16)12(14-2)4-9-19-3/h11-12,14H,4-10H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of 1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate?
1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate has a molecular weight of 290.43 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate is sourced from PubChem (CID 59117409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).