4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid

C11H22N2O3 — CID 142683451

IUPAC4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid
SMILESCCNCCCN(CC)C(=O)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-12-8-5-9-13(4-2)10(14)6-7-11(15)16/h12H,3-9H2,1-2H3,(H,15,16)
InChIKeyUKKDSXGAFSTBGE-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds9

About 4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid

4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid (PubChem CID 142683451) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid
PubChem CID142683451
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid
SMILESCCNCCCN(CC)C(=O)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-12-8-5-9-13(4-2)10(14)6-7-11(15)16/h12H,3-9H2,1-2H3,(H,15,16)
InChIKeyUKKDSXGAFSTBGE-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid
CID 43465984
10-(ethylamino)decanoic acid
CID 57308942
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
3-(ethylamino)-N,N-dipropylpropanamide
CID 62833888
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
4-[bis[3-(3,3-dimethylbutanoylamino)propyl]amino]-4-oxobutanoic acid
CID 102326203
N-butyl-N-ethylpentanamide
CID 4629847
3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid
CID 21328693
3-[3-(cyclopropylamino)propanoyl-ethylamino]propanoic acid
CID 62328828
2-sulfanylethyl N-ethyl-N-[3-[3-[3-(ethylamino)propylamino]propylamino]propyl]carbamate
CID 153341754
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid (CID 142683451) is 4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid is CCNCCCN(CC)C(=O)CCC(=O)O.
What is the InChIKey of 4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid?
The InChIKey is UKKDSXGAFSTBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-12-8-5-9-13(4-2)10(14)6-7-11(15)16/h12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid?
4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 142683451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).