(2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid

C11H22N2O3S — CID 106442921

IUPAC(2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
SMILESCC(C)N(C)C(=O)CSC(C)(C)[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O3S/c1-7(2)13(5)8(14)6-17-11(3,4)9(12)10(15)16/h7,9H,6,12H2,1-5H3,(H,15,16)/t9-/m1/s1
InChIKeyGOEFDBQDFILZKV-SECBINFHSA-N
MW262.38 g/mol
LogP0.78
Rot. Bonds6

About (2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid

(2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid (PubChem CID 106442921) has the molecular formula C11H22N2O3S and a molecular weight of 262.38 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
PubChem CID106442921
Molecular FormulaC11H22N2O3S
Molecular Weight262.38 g/mol
Exact Mass262.14
IUPAC Name(2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
SMILESCC(C)N(C)C(=O)CSC(C)(C)[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O3S/c1-7(2)13(5)8(14)6-17-11(3,4)9(12)10(15)16/h7,9H,6,12H2,1-5H3,(H,15,16)/t9-/m1/s1
InChIKeyGOEFDBQDFILZKV-SECBINFHSA-N
XLogP0.78
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid with MolForge

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Related Compounds

(2R)-2-amino-3-[2-(dimethylamino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106442600
2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide
CID 78814922
(2R)-2-amino-3-(3-hydroxypropylsulfanyl)-3-methylbutanoic acid
CID 106442193
(2S)-2-amino-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106443214
2-amino-4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 60929861
(2S)-2-amino-3-(2-carboxy-2-methylpropyl)sulfanyl-3-methylbutanoic acid
CID 106443556
(2R)-2-amino-3-methyl-3-(2-methylsulfonylethylsulfanyl)butanoic acid
CID 106442436
(2S)-2-amino-3-(6-hydroxyhexylsulfanyl)-3-methylbutanoic acid
CID 106443145
(2S)-2-amino-3-methyl-3-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 106443639
2-amino-3-[[(1R)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid
CID 54200597
(2R)-2-amino-3-methyl-3-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 106442510
(2S)-2-amino-3-methyl-3-prop-2-enylsulfanylbutanoic acid
CID 13127849

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid?
The IUPAC name of (2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid (CID 106442921) is (2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid?
The canonical SMILES for (2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid is CC(C)N(C)C(=O)CSC(C)(C)[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid?
The InChIKey is GOEFDBQDFILZKV-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-7(2)13(5)8(14)6-17-11(3,4)9(12)10(15)16/h7,9H,6,12H2,1-5H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid?
(2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid has a molecular weight of 262.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid is sourced from PubChem (CID 106442921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).