2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid

C10H20N2O3 — CID 43465984

IUPAC2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid
SMILESCCN(CC)C(=O)CCCNCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-12(4-2)9(13)6-5-7-11-8-10(14)15/h11H,3-8H2,1-2H3,(H,14,15)
InChIKeyFJLSYXANWYJELZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.31
Rot. Bonds8

About 2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid

2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid (PubChem CID 43465984) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid
PubChem CID43465984
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid
SMILESCCN(CC)C(=O)CCCNCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-12(4-2)9(13)6-5-7-11-8-10(14)15/h11H,3-8H2,1-2H3,(H,14,15)
InChIKeyFJLSYXANWYJELZ-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.31
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

12-(diethylamino)-12-oxododecanoic acid
CID 19794003
4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid
CID 142683451
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
N,N-diethyl-10-oxodecanamide
CID 130369072
N,N-diethyl-3-(heptylamino)propanamide
CID 54936007
6-[(2-amino-2-oxoethyl)-ethylamino]-6-oxohexanoic acid
CID 103101524
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid
CID 21328693
2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]-4-(diethylamino)-4-oxobutanoic acid
CID 21468396
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid
CID 43588237

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid?
The IUPAC name of 2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid (CID 43465984) is 2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid is CCN(CC)C(=O)CCCNCC(=O)O.
What is the InChIKey of 2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid?
The InChIKey is FJLSYXANWYJELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-12(4-2)9(13)6-5-7-11-8-10(14)15/h11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid?
2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid is sourced from PubChem (CID 43465984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).