[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate

C15H20N2O3 — CID 61315262

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate
SMILESCC(OC(=O)CCc1ccc(N)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H20N2O3/c1-10(15(19)17-13-7-8-13)20-14(18)9-4-11-2-5-12(16)6-3-11/h2-3,5-6,10,13H,4,7-9,16H2,1H3,(H,17,19)
InChIKeyVBHSQIJUHJNBSA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.41
Rot. Bonds6

About [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate

[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate (PubChem CID 61315262) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate
PubChem CID61315262
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate
SMILESCC(OC(=O)CCc1ccc(N)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H20N2O3/c1-10(15(19)17-13-7-8-13)20-14(18)9-4-11-2-5-12(16)6-3-11/h2-3,5-6,10,13H,4,7-9,16H2,1H3,(H,17,19)
InChIKeyVBHSQIJUHJNBSA-UHFFFAOYSA-N
XLogP1.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-tert-butylphenyl)propanoate
CID 8506853
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781150
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609591
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8731275
[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8999083
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553461
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019249
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773294
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764352
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840625
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
CID 61321535
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384132

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate (CID 61315262) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate is CC(OC(=O)CCc1ccc(N)cc1)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate?
The InChIKey is VBHSQIJUHJNBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(15(19)17-13-7-8-13)20-14(18)9-4-11-2-5-12(16)6-3-11/h2-3,5-6,10,13H,4,7-9,16H2,1H3,(H,17,19).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate is sourced from PubChem (CID 61315262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).