2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid

C14H20N2O3 — CID 43444924

IUPAC2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
SMILESCCN(CC)C(CNC(=O)C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-16(4-2)12(10-15-13(17)14(18)19)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZVJILCPLMZYUSH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.27
Rot. Bonds6

About 2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid

2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid (PubChem CID 43444924) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
PubChem CID43444924
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
SMILESCCN(CC)C(CNC(=O)C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-16(4-2)12(10-15-13(17)14(18)19)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZVJILCPLMZYUSH-UHFFFAOYSA-N
XLogP1.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
CID 61148338
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-2-sulfanylbutanamide
CID 107020130
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
CID 119399219
trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide
CID 129419786
N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-methylpentanamide
CID 75386938
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid (CID 43444924) is 2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid is CCN(CC)C(CNC(=O)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid?
The InChIKey is ZVJILCPLMZYUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-16(4-2)12(10-15-13(17)14(18)19)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid?
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 43444924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).