5-(dibutylcarbamoylamino)-5-oxopentanoic acid

C14H26N2O4 — CID 28983456

IUPAC5-(dibutylcarbamoylamino)-5-oxopentanoic acid
SMILESCCCCN(CCCC)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-5-10-16(11-6-4-2)14(20)15-12(17)8-7-9-13(18)19/h3-11H2,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyXPOIKOLIXIOQPS-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.38
Rot. Bonds10

About 5-(dibutylcarbamoylamino)-5-oxopentanoic acid

5-(dibutylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 28983456) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-(dibutylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(dibutylcarbamoylamino)-5-oxopentanoic acid
PubChem CID28983456
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5-(dibutylcarbamoylamino)-5-oxopentanoic acid
SMILESCCCCN(CCCC)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-5-10-16(11-6-4-2)14(20)15-12(17)8-7-9-13(18)19/h3-11H2,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyXPOIKOLIXIOQPS-UHFFFAOYSA-N
XLogP2.38
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
CID 102994626
6-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-6-oxohexanoic acid
CID 102994623
2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61329439
5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 55228085
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
6-[bis(2-methylpropyl)carbamoylamino]-6-oxohexanoic acid
CID 61378859
6-[[butyl(2-hydroxyethyl)carbamoyl]amino]hexanoic acid
CID 61447424
5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 63959613
5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid
CID 4955593
(2S)-2-(dibutylcarbamoylamino)pentanedioic acid
CID 61185545
CID 177477585
CID 177477585

Frequently Asked Questions

What is the IUPAC name of 5-(dibutylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(dibutylcarbamoylamino)-5-oxopentanoic acid (CID 28983456) is 5-(dibutylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(dibutylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(dibutylcarbamoylamino)-5-oxopentanoic acid is CCCCN(CCCC)C(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-(dibutylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is XPOIKOLIXIOQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-5-10-16(11-6-4-2)14(20)15-12(17)8-7-9-13(18)19/h3-11H2,1-2H3,(H,18,19)(H,15,17,20).
What are the key properties of 5-(dibutylcarbamoylamino)-5-oxopentanoic acid?
5-(dibutylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibutylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 28983456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).