3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid

C13H23N3O5 — CID 62965171

IUPAC3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid
SMILESCCCNC(=O)CCNC(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H23N3O5/c1-3-5-14-10(17)4-6-15-13(21)16-11(18)7-9(2)8-12(19)20/h9H,3-8H2,1-2H3,(H,14,17)(H,19,20)(H2,15,16,18,21)
InChIKeyOAVXIIPJOQJJSU-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.23
Rot. Bonds9

About 3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid

3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid (PubChem CID 62965171) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid
PubChem CID62965171
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid
SMILESCCCNC(=O)CCNC(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H23N3O5/c1-3-5-14-10(17)4-6-15-13(21)16-11(18)7-9(2)8-12(19)20/h9H,3-8H2,1-2H3,(H,14,17)(H,19,20)(H2,15,16,18,21)
InChIKeyOAVXIIPJOQJJSU-UHFFFAOYSA-N
XLogP0.23
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62965871
3-methyl-5-oxo-5-(pent-4-ynylcarbamoylamino)pentanoic acid
CID 106222413
3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 62965170
3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
CID 60547146
5-[[(2S)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 10698964
N-(propylcarbamoyl)butanamide
CID 12936931
3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 79360156
4-(3-acetamidopropanoylamino)-3-methylbutanoic acid
CID 81063631
5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
CID 62965075
3-methyl-N-propylhexanamide
CID 143315126
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid (CID 62965171) is 3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid is CCCNC(=O)CCNC(=O)NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid?
The InChIKey is OAVXIIPJOQJJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-3-5-14-10(17)4-6-15-13(21)16-11(18)7-9(2)8-12(19)20/h9H,3-8H2,1-2H3,(H,14,17)(H,19,20)(H2,15,16,18,21).
What are the key properties of 3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid?
3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid has a molecular weight of 301.34 g/mol, XLogP of 0.23, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 62965171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).