5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid

C12H22N2O5 — CID 55228085

IUPAC5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCOCCN(CC)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C12H22N2O5/c1-3-14(8-9-19-4-2)12(18)13-10(15)6-5-7-11(16)17/h3-9H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeySFDVUIBPEDRHIY-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.84
Rot. Bonds9

About 5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid

5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 55228085) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID55228085
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCOCCN(CC)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C12H22N2O5/c1-3-14(8-9-19-4-2)12(18)13-10(15)6-5-7-11(16)17/h3-9H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeySFDVUIBPEDRHIY-UHFFFAOYSA-N
XLogP0.84
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
5-(dibutylcarbamoylamino)-5-oxopentanoic acid
CID 28983456
4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 63690077
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
3-[3-ethoxypropyl(ethyl)amino]propanoic acid
CID 65180873
2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 63692727
6-[bis(2-methylpropyl)carbamoylamino]-6-oxohexanoic acid
CID 61378859
6-[2-ethoxyethyl(methyl)amino]hexanoic acid
CID 81057778
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61428231
N-(2-ethoxyethyl)-N-ethyl-2-(methylamino)acetamide
CID 63691454

Frequently Asked Questions

What is the IUPAC name of 5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid (CID 55228085) is 5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid is CCOCCN(CC)C(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is SFDVUIBPEDRHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-3-14(8-9-19-4-2)12(18)13-10(15)6-5-7-11(16)17/h3-9H2,1-2H3,(H,16,17)(H,13,15,18).
What are the key properties of 5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid?
5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 55228085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).