5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid

C10H19N3O4S — CID 22935677

IUPAC5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid
SMILESCSCCC(N)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4S/c1-18-5-4-6(11)9(15)13-7(10(16)17)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyMUMXFARPYQTTSL-UHFFFAOYSA-N
MW277.35 g/mol
LogP-1.10
Rot. Bonds9

About 5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid

5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid (PubChem CID 22935677) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid
PubChem CID22935677
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid
SMILESCSCCC(N)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4S/c1-18-5-4-6(11)9(15)13-7(10(16)17)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyMUMXFARPYQTTSL-UHFFFAOYSA-N
XLogP-1.10
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid (CID 22935677) is 5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid is CSCCC(N)C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid?
The InChIKey is MUMXFARPYQTTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-18-5-4-6(11)9(15)13-7(10(16)17)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17).
What are the key properties of 5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid?
5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid has a molecular weight of 277.35 g/mol, XLogP of -1.10, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 22935677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).