2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid

C10H19NO3S — CID 43469570

IUPAC2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid
SMILESCCC(NC(=O)CSC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-5-7(9(13)14)11-8(12)6-15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyMAMRXSJRORQSDW-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.50
Rot. Bonds5

About 2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid

2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid (PubChem CID 43469570) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid
PubChem CID43469570
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid
SMILESCCC(NC(=O)CSC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-5-7(9(13)14)11-8(12)6-15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyMAMRXSJRORQSDW-UHFFFAOYSA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-tert-butylsulfanylacetyl)amino]-3-methoxypropanoic acid
CID 81076644
(2S)-2-[(2-tert-butylsulfanylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63307462
2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 43387357
(2R)-2-[(2-tert-butylsulfanylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820679
2-[(2-tert-butylsulfanylacetyl)amino]-4-methylsulfonylbutanoic acid
CID 43098573
2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43418122
2-tert-butylsulfanyl-N-propan-2-ylacetamide
CID 126656909
2-[[2-(3-methylbutylsulfanyl)acetyl]amino]butanoic acid
CID 115731057
2-(4-bromophenyl)-2-[(2-tert-butylsulfanylacetyl)amino]acetic acid
CID 119197832
(2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
CID 79260755
N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride
CID 120506117
2-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 120687072

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid?
The IUPAC name of 2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid (CID 43469570) is 2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid is CCC(NC(=O)CSC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid?
The InChIKey is MAMRXSJRORQSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-5-7(9(13)14)11-8(12)6-15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid?
2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid has a molecular weight of 233.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid is sourced from PubChem (CID 43469570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).