[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate

C14H18N2O4 — CID 61321535

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
SMILESCC(OC(=O)COc1cccc(N)c1)C(=O)NC1CC1
InChIInChI=1S/C14H18N2O4/c1-9(14(18)16-11-5-6-11)20-13(17)8-19-12-4-2-3-10(15)7-12/h2-4,7,9,11H,5-6,8,15H2,1H3,(H,16,18)
InChIKeyATLUGWRWZUZEFP-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.86
Rot. Bonds6

About [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate (PubChem CID 61321535) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
PubChem CID61321535
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
SMILESCC(OC(=O)COc1cccc(N)c1)C(=O)NC1CC1
InChIInChI=1S/C14H18N2O4/c1-9(14(18)16-11-5-6-11)20-13(17)8-19-12-4-2-3-10(15)7-12/h2-4,7,9,11H,5-6,8,15H2,1H3,(H,16,18)
InChIKeyATLUGWRWZUZEFP-UHFFFAOYSA-N
XLogP0.86
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7697256
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7903020
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970509
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735606
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 42968778
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 3667679
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273672
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 37290830
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842569
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854091

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate (CID 61321535) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate is CC(OC(=O)COc1cccc(N)c1)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate?
The InChIKey is ATLUGWRWZUZEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(14(18)16-11-5-6-11)20-13(17)8-19-12-4-2-3-10(15)7-12/h2-4,7,9,11H,5-6,8,15H2,1H3,(H,16,18).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate has a molecular weight of 278.31 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 61321535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).