[1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate

C14H20N2O4 — CID 61316741

IUPAC[1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate
SMILESCC(OC(=O)CCOc1ccccc1N)C(=O)N(C)C
InChIInChI=1S/C14H20N2O4/c1-10(14(18)16(2)3)20-13(17)8-9-19-12-7-5-4-6-11(12)15/h4-7,10H,8-9,15H2,1-3H3
InChIKeyZNVUUJSQEHEUMT-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.06
Rot. Bonds6

About [1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate

[1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate (PubChem CID 61316741) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate.

Molecular Properties

Compound Name[1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate
PubChem CID61316741
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate
SMILESCC(OC(=O)CCOc1ccccc1N)C(=O)N(C)C
InChIInChI=1S/C14H20N2O4/c1-10(14(18)16(2)3)20-13(17)8-9-19-12-7-5-4-6-11(12)15/h4-7,10H,8-9,15H2,1-3H3
InChIKeyZNVUUJSQEHEUMT-UHFFFAOYSA-N
XLogP1.06
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 7841838
2,2-difluoroethyl 3-(2-aminophenoxy)propanoate
CID 61321548
3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 113425868
3-(2-aminophenoxy)propanamide
CID 39869131
(3-amino-3-oxopropyl) 3-(2-aminophenoxy)propanoate
CID 61314280
3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
CID 61109535
methyl 4-[3-(2-aminophenoxy)propanoyloxy]butanoate
CID 61314466
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093679
[2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate
CID 61314279
2,2,2-trifluoroethoxymethyl 3-(2-aminophenoxy)propanoate
CID 106705762
cyclopentyl 3-(2-aminophenoxy)propanoate
CID 61310999
3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide
CID 104827234

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate?
The IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate (CID 61316741) is [1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate.
What is the SMILES notation for [1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate?
The canonical SMILES for [1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate is CC(OC(=O)CCOc1ccccc1N)C(=O)N(C)C.
What is the InChIKey of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate?
The InChIKey is ZNVUUJSQEHEUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(14(18)16(2)3)20-13(17)8-9-19-12-7-5-4-6-11(12)15/h4-7,10H,8-9,15H2,1-3H3.
What are the key properties of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate?
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate has a molecular weight of 280.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate is sourced from PubChem (CID 61316741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).