2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide

C11H23N3O3S — CID 3259172

IUPAC2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide
SMILESCC(O)C(NC(=O)C(N)CSC(C)(C)C)C(N)=O
InChIInChI=1S/C11H23N3O3S/c1-6(15)8(9(13)16)14-10(17)7(12)5-18-11(2,3)4/h6-8,15H,5,12H2,1-4H3,(H2,13,16)(H,14,17)
InChIKeyLVYYUCUPUJWDPE-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.80
Rot. Bonds6

About 2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide

2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide (PubChem CID 3259172) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide.

Molecular Properties

Compound Name2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide
PubChem CID3259172
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide
SMILESCC(O)C(NC(=O)C(N)CSC(C)(C)C)C(N)=O
InChIInChI=1S/C11H23N3O3S/c1-6(15)8(9(13)16)14-10(17)7(12)5-18-11(2,3)4/h6-8,15H,5,12H2,1-4H3,(H2,13,16)(H,14,17)
InChIKeyLVYYUCUPUJWDPE-UHFFFAOYSA-N
XLogP-0.80
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-3-tert-butylsulfanylpropanoate
CID 23079585
(3S)-4-[[(2R,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 167012827
(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3-sulfanylbutanamide
CID 175870546
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 18224109
[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid
CID 118589539
(2R)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3-sulfanylbutanamide
CID 87351654
2-amino-N-[1-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-1-oxo-3-sulfanylpropan-2-yl]-3-methylbutanamide
CID 174671136
2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide
CID 91533089
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 104903192
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 18743898
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid
CID 22658787
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 18483490

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide?
The IUPAC name of 2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide (CID 3259172) is 2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide.
What is the SMILES notation for 2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide?
The canonical SMILES for 2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide is CC(O)C(NC(=O)C(N)CSC(C)(C)C)C(N)=O.
What is the InChIKey of 2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide?
The InChIKey is LVYYUCUPUJWDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-6(15)8(9(13)16)14-10(17)7(12)5-18-11(2,3)4/h6-8,15H,5,12H2,1-4H3,(H2,13,16)(H,14,17).
What are the key properties of 2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide?
2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide has a molecular weight of 277.39 g/mol, XLogP of -0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide is sourced from PubChem (CID 3259172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).