(2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid

C19H24Cl2N4O5 — CID 58193243

IUPAC(2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid
SMILESN/C(=N\C(=O)CCCCC(=O)CC[C@H](N)C(=O)O)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H24Cl2N4O5/c20-13-5-3-6-14(21)12(13)10-17(28)25-19(23)24-16(27)7-2-1-4-11(26)8-9-15(22)18(29)30/h3,5-6,15H,1-2,4,7-10,22H2,(H,29,30)(H3,23,24,25,27,28)/t15-/m0/s1
InChIKeyZTEGVSKNLPIRTN-HNNXBMFYSA-N
MW459.33 g/mol
LogP1.82
Rot. Bonds11

About (2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid

(2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid (PubChem CID 58193243) has the molecular formula C19H24Cl2N4O5 and a molecular weight of 459.33 g/mol. Its IUPAC name is (2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid
PubChem CID58193243
Molecular FormulaC19H24Cl2N4O5
Molecular Weight459.33 g/mol
Exact Mass458.11
IUPAC Name(2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid
SMILESN/C(=N\C(=O)CCCCC(=O)CC[C@H](N)C(=O)O)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H24Cl2N4O5/c20-13-5-3-6-14(21)12(13)10-17(28)25-19(23)24-16(27)7-2-1-4-11(26)8-9-15(22)18(29)30/h3,5-6,15H,1-2,4,7-10,22H2,(H,29,30)(H3,23,24,25,27,28)/t15-/m0/s1
InChIKeyZTEGVSKNLPIRTN-HNNXBMFYSA-N
XLogP1.82
TPSA164.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.33
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid?
The IUPAC name of (2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid (CID 58193243) is (2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid.
What is the SMILES notation for (2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid?
The canonical SMILES for (2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid is N/C(=N\C(=O)CCCCC(=O)CC[C@H](N)C(=O)O)NC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of (2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid?
The InChIKey is ZTEGVSKNLPIRTN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O5/c20-13-5-3-6-14(21)12(13)10-17(28)25-19(23)24-16(27)7-2-1-4-11(26)8-9-15(22)18(29)30/h3,5-6,15H,1-2,4,7-10,22H2,(H,29,30)(H3,23,24,25,27,28)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid?
(2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid has a molecular weight of 459.33 g/mol, XLogP of 1.82, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid is sourced from PubChem (CID 58193243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).