methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate

C10H20N2O3S — CID 104907366

IUPACmethyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@H](N)CCSC
InChIInChI=1S/C10H20N2O3S/c1-10(2,9(14)15-3)12-8(13)7(11)5-6-16-4/h7H,5-6,11H2,1-4H3,(H,12,13)/t7-/m1/s1
InChIKeyODIQIXBXMLMURP-SSDOTTSWSA-N
MW248.35 g/mol
LogP0.13
Rot. Bonds6

About methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate

methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate (PubChem CID 104907366) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate
PubChem CID104907366
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Namemethyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@H](N)CCSC
InChIInChI=1S/C10H20N2O3S/c1-10(2,9(14)15-3)12-8(13)7(11)5-6-16-4/h7H,5-6,11H2,1-4H3,(H,12,13)/t7-/m1/s1
InChIKeyODIQIXBXMLMURP-SSDOTTSWSA-N
XLogP0.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate
CID 62474644
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid
CID 104908582
methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate
CID 114926078
methyl 2-amino-4-methylsulfanylbutanoate chloride
CID 170923229
(2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide
CID 107865640
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103832925
(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide
CID 114264096
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
CID 138397899
(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite
CID 158556159
(2S)-2-amino-N-(cyanomethyl)-4-methylsulfanylbutanamide
CID 61252327

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate (CID 104907366) is methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)[C@H](N)CCSC.
What is the InChIKey of methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate?
The InChIKey is ODIQIXBXMLMURP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(2,9(14)15-3)12-8(13)7(11)5-6-16-4/h7H,5-6,11H2,1-4H3,(H,12,13)/t7-/m1/s1.
What are the key properties of methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate?
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate has a molecular weight of 248.35 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 104907366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).