5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

C14H25N3O5 — CID 145326538

IUPAC5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
SMILESCCNC(=O)CCC(NC(=O)CCCC(=O)O)C(=O)NCC
InChIInChI=1S/C14H25N3O5/c1-3-15-11(18)9-8-10(14(22)16-4-2)17-12(19)6-5-7-13(20)21/h10H,3-9H2,1-2H3,(H,15,18)(H,16,22)(H,17,19)(H,20,21)
InChIKeyJIYRTGZJRUJXLN-UHFFFAOYSA-N
MW315.37 g/mol
LogP-0.22
Rot. Bonds11

About 5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 145326538) has the molecular formula C14H25N3O5 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
PubChem CID145326538
Molecular FormulaC14H25N3O5
Molecular Weight315.37 g/mol
Exact Mass315.18
IUPAC Name5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
SMILESCCNC(=O)CCC(NC(=O)CCCC(=O)O)C(=O)NCC
InChIInChI=1S/C14H25N3O5/c1-3-15-11(18)9-8-10(14(22)16-4-2)17-12(19)6-5-7-13(20)21/h10H,3-9H2,1-2H3,(H,15,18)(H,16,22)(H,17,19)(H,20,21)
InChIKeyJIYRTGZJRUJXLN-UHFFFAOYSA-N
XLogP-0.22
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

18-[[(1S)-1-carboxy-4-oxo-4-(propylamino)butyl]amino]-18-oxooctadecanoic acid
CID 59616536
2-[[4-carboxy-4-[4-[4-(4-carboxybutanoylsulfamoyl)butanoylamino]butanoylamino]butanoyl]amino]-5-(ethylamino)-5-oxopentanoic acid
CID 118911732
(4S)-4-(dodecanoylamino)-5-(dodecylamino)-5-oxopentanoic acid
CID 71347197
22-[[1-carboxy-4-(heptylamino)-4-oxobutyl]amino]-22-oxodocosanoic acid
CID 178049732
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
14-[[1-carboxy-4-(carboxymethylamino)-4-oxobutyl]amino]-14-oxotetradecanoic acid
CID 123780808
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-(carboxymethylamino)-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 166930578
(2S)-N,N'-dibutyl-2-(octanoylamino)pentanediamide
CID 71362769
18-[[1-carboxy-4-[[4-[[1-carboxy-4-oxo-4-[[4-oxo-4-(pentylamino)butyl]amino]butyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 123821291
(2S)-2,6-bis[[(2S)-4-carboxy-2-(tetradecanoylamino)butanoyl]amino]hexanoic acid
CID 102099724
4-(carboxymethylamino)-3-[[6-(ethylamino)-6-oxo-2-[(2-phosphanylsulfanylacetyl)amino]hexanoyl]amino]-4-oxobutanoic acid;methane;propane;tritium monohydride
CID 157487080
(2S)-2-(hexanoylamino)-N,N'-dioctadecylpentanediamide
CID 71380985

Frequently Asked Questions

What is the IUPAC name of 5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid (CID 145326538) is 5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid is CCNC(=O)CCC(NC(=O)CCCC(=O)O)C(=O)NCC.
What is the InChIKey of 5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is JIYRTGZJRUJXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O5/c1-3-15-11(18)9-8-10(14(22)16-4-2)17-12(19)6-5-7-13(20)21/h10H,3-9H2,1-2H3,(H,15,18)(H,16,22)(H,17,19)(H,20,21).
What are the key properties of 5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid?
5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 315.37 g/mol, XLogP of -0.22, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 145326538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).