(2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid

C11H19N3O4S — CID 173182559

IUPAC(2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid
SMILESNC(=O)CC[C@H](N)C(=O)CC=CSC[C@H](N)C(=O)O
InChIInChI=1S/C11H19N3O4S/c12-7(3-4-10(14)16)9(15)2-1-5-19-6-8(13)11(17)18/h1,5,7-8H,2-4,6,12-13H2,(H2,14,16)(H,17,18)/t7-,8-/m0/s1
InChIKeyNIQXPGJUPJGVEV-YUMQZZPRSA-N
MW289.36 g/mol
LogP-0.80
Rot. Bonds10

About (2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid

(2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid (PubChem CID 173182559) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is (2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid
PubChem CID173182559
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name(2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid
SMILESNC(=O)CC[C@H](N)C(=O)CC=CSC[C@H](N)C(=O)O
InChIInChI=1S/C11H19N3O4S/c12-7(3-4-10(14)16)9(15)2-1-5-19-6-8(13)11(17)18/h1,5,7-8H,2-4,6,12-13H2,(H2,14,16)(H,17,18)/t7-,8-/m0/s1
InChIKeyNIQXPGJUPJGVEV-YUMQZZPRSA-N
XLogP-0.80
TPSA149.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid with MolForge

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Related Compounds

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(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
aluminum 2,5-diamino-5-oxopentanoic acid
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2,5-diamino-5-oxopentanoic acid;dihydrochloride
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2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
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CID 160740452

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid (CID 173182559) is (2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid is NC(=O)CC[C@H](N)C(=O)CC=CSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid?
The InChIKey is NIQXPGJUPJGVEV-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H19N3O4S/c12-7(3-4-10(14)16)9(15)2-1-5-19-6-8(13)11(17)18/h1,5,7-8H,2-4,6,12-13H2,(H2,14,16)(H,17,18)/t7-,8-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid has a molecular weight of 289.36 g/mol, XLogP of -0.80, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(5S)-5,8-diamino-4,8-dioxooct-1-enyl]sulfanylpropanoic acid is sourced from PubChem (CID 173182559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).