3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid

C12H22N2O4 — CID 119177201

IUPAC3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
SMILESCCN(CC)C(=O)CCCC(=O)NCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-14(4-2)11(16)7-5-6-10(15)13-9-8-12(17)18/h3-9H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyXRRWLEVBPHLKNF-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.62
Rot. Bonds9

About 3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid

3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid (PubChem CID 119177201) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
PubChem CID119177201
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
SMILESCCN(CC)C(=O)CCCC(=O)NCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-14(4-2)11(16)7-5-6-10(15)13-9-8-12(17)18/h3-9H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyXRRWLEVBPHLKNF-UHFFFAOYSA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-N',N'-diethylpentanediamide
CID 119495804
3-(docosanoylamino)propanoic acid
CID 45357432
3-(tetradecanoylamino)propanoic acid
CID 3662949
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
3-(dodecanoylamino)propanoic acid;zinc
CID 87141829
3-[[13-(butylamino)-13-oxotridecanoyl]amino]propanoic acid
CID 170549124
2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid
CID 43465984
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid
CID 119205165
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid
CID 119191273
6-(butylamino)-6-oxohexanoic acid
CID 43529485

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid?
The IUPAC name of 3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid (CID 119177201) is 3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid is CCN(CC)C(=O)CCCC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid?
The InChIKey is XRRWLEVBPHLKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-14(4-2)11(16)7-5-6-10(15)13-9-8-12(17)18/h3-9H2,1-2H3,(H,13,15)(H,17,18).
What are the key properties of 3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid?
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid is sourced from PubChem (CID 119177201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).