(2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid

C13H26N2O3S — CID 106443528

IUPAC(2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
SMILESCCC(C)(C)NC(=O)C(C)SC(C)(C)[C@@H](N)C(=O)O
InChIInChI=1S/C13H26N2O3S/c1-7-12(3,4)15-10(16)8(2)19-13(5,6)9(14)11(17)18/h8-9H,7,14H2,1-6H3,(H,15,16)(H,17,18)/t8?,9-/m0/s1
InChIKeyUZYFKQFXBBYLAK-GKAPJAKFSA-N
MW290.43 g/mol
LogP1.60
Rot. Bonds7

About (2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid

(2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid (PubChem CID 106443528) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
PubChem CID106443528
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name(2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
SMILESCCC(C)(C)NC(=O)C(C)SC(C)(C)[C@@H](N)C(=O)O
InChIInChI=1S/C13H26N2O3S/c1-7-12(3,4)15-10(16)8(2)19-13(5,6)9(14)11(17)18/h8-9H,7,14H2,1-6H3,(H,15,16)(H,17,18)/t8?,9-/m0/s1
InChIKeyUZYFKQFXBBYLAK-GKAPJAKFSA-N
XLogP1.60
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid with MolForge

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Related Compounds

(2S)-2-amino-3-methyl-3-[1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 114189300
(2S)-2-amino-3-(1-amino-1-oxopropan-2-yl)sulfanyl-3-methylbutanoic acid
CID 106443509
(2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid
CID 114189225
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
(2S)-2-amino-3-(1-carboxybutylsulfanyl)-3-methylbutanoic acid
CID 106443466
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 66103606
(2S)-2-amino-3-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid
CID 106443600
(2R)-2-amino-N-(2-methylbutan-2-yl)pentanamide
CID 103793847
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
2-amino-3-[[(1R)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid
CID 54200597
2-amino-N-(2-methylbutan-2-yl)butanediamide
CID 60849148

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid?
The IUPAC name of (2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid (CID 106443528) is (2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid?
The canonical SMILES for (2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid is CCC(C)(C)NC(=O)C(C)SC(C)(C)[C@@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid?
The InChIKey is UZYFKQFXBBYLAK-GKAPJAKFSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-7-12(3,4)15-10(16)8(2)19-13(5,6)9(14)11(17)18/h8-9H,7,14H2,1-6H3,(H,15,16)(H,17,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid?
(2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid has a molecular weight of 290.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid is sourced from PubChem (CID 106443528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).