2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid

C11H20N2O3S — CID 54933661

IUPAC2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid
SMILESCC(SCCC(N)C(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C11H20N2O3S/c1-8(10(14)13-5-2-3-6-13)17-7-4-9(12)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyFSYCEUOILSAWRW-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.53
Rot. Bonds6

About 2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid

2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid (PubChem CID 54933661) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid
PubChem CID54933661
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid
SMILESCC(SCCC(N)C(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C11H20N2O3S/c1-8(10(14)13-5-2-3-6-13)17-7-4-9(12)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyFSYCEUOILSAWRW-UHFFFAOYSA-N
XLogP0.53
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 66226966
2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 60930107
2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755865
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43086548
(3S)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 119173766
2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid
CID 66139313
1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
CID 134037918
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
2-amino-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbutanoic acid
CID 60929526
2-(4-aminobutan-2-ylsulfanyl)-1-(azepan-1-yl)propan-1-one
CID 66228390
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 70945574

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid?
The IUPAC name of 2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid (CID 54933661) is 2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid.
What is the SMILES notation for 2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid?
The canonical SMILES for 2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid is CC(SCCC(N)C(=O)O)C(=O)N1CCCC1.
What is the InChIKey of 2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid?
The InChIKey is FSYCEUOILSAWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(10(14)13-5-2-3-6-13)17-7-4-9(12)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid?
2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid has a molecular weight of 260.36 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid is sourced from PubChem (CID 54933661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).