(2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid

C8H14N2O4S — CID 142184881

IUPAC(2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid
SMILESC[C@H](S)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O4S/c1-4(15)7(12)10-5(8(13)14)2-3-6(9)11/h4-5,15H,2-3H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t4-,5-/m0/s1
InChIKeySZUNTBHLYPHMTO-WHFBIAKZSA-N
MW234.28 g/mol
LogP-0.86
Rot. Bonds6

About (2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid

(2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid (PubChem CID 142184881) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid
PubChem CID142184881
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name(2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid
SMILESC[C@H](S)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O4S/c1-4(15)7(12)10-5(8(13)14)2-3-6(9)11/h4-5,15H,2-3H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t4-,5-/m0/s1
InChIKeySZUNTBHLYPHMTO-WHFBIAKZSA-N
XLogP-0.86
TPSA109.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
(2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid
CID 107830111
(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 114006033
5-amino-2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
CID 18235053
5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid
CID 62838558
(2R)-5-amino-2-[(5-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 107830220
(2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 107830332
5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid
CID 23077146
5-amino-2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 43358642
5-amino-2-[[2-(2-aminopropanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18218348
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18235072
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid (CID 142184881) is (2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid is C[C@H](S)C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid?
The InChIKey is SZUNTBHLYPHMTO-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-4(15)7(12)10-5(8(13)14)2-3-6(9)11/h4-5,15H,2-3H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t4-,5-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid?
(2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid has a molecular weight of 234.28 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid is sourced from PubChem (CID 142184881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).