5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid

C11H19NO5 — CID 64576360

IUPAC5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid
SMILESCCOC(=O)CCCNC(=O)CCCC(=O)O
InChIInChI=1S/C11H19NO5/c1-2-17-11(16)7-4-8-12-9(13)5-3-6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyDEEGDLVTTOCPKR-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.70
Rot. Bonds9

About 5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid

5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid (PubChem CID 64576360) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid
PubChem CID64576360
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid
SMILESCCOC(=O)CCCNC(=O)CCCC(=O)O
InChIInChI=1S/C11H19NO5/c1-2-17-11(16)7-4-8-12-9(13)5-3-6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyDEEGDLVTTOCPKR-UHFFFAOYSA-N
XLogP0.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.70
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

ethyl 4-(pentanoylamino)butanoate
CID 60654722
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
ethyl 4-[4-(methylamino)butanoylamino]butanoate;hydrochloride
CID 119726258
ethyl 5-(butanoylamino)pentanoate
CID 131842627
ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91705286
ethyl 4-(hept-6-ynoylamino)butanoate
CID 103907596
23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
3-[(4-ethoxy-4-oxobutyl)amino]propanoic acid
CID 64579324
5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
CID 150155538
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
4-(tridecanoylamino)butanoic acid
CID 164851630

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid (CID 64576360) is 5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid is CCOC(=O)CCCNC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid?
The InChIKey is DEEGDLVTTOCPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-2-17-11(16)7-4-8-12-9(13)5-3-6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid?
5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64576360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).