[4-(methylamino)phenyl] propanoate

C10H13NO2 — CID 129013765

IUPAC[4-(methylamino)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(NC)cc1
InChIInChI=1S/C10H13NO2/c1-3-10(12)13-9-6-4-8(11-2)5-7-9/h4-7,11H,3H2,1-2H3
InChIKeyHKLVLVFIQXLBRR-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.04
Rot. Bonds3

About [4-(methylamino)phenyl] propanoate

[4-(methylamino)phenyl] propanoate (PubChem CID 129013765) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [4-(methylamino)phenyl] propanoate.

Molecular Properties

Compound Name[4-(methylamino)phenyl] propanoate
PubChem CID129013765
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[4-(methylamino)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(NC)cc1
InChIInChI=1S/C10H13NO2/c1-3-10(12)13-9-6-4-8(11-2)5-7-9/h4-7,11H,3H2,1-2H3
InChIKeyHKLVLVFIQXLBRR-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-hydrazinylphenyl) propanoate
CID 57133052
[4-[4-[[4-(4-propanoyloxyphenyl)phenyl]methyl]phenyl]phenyl] propanoate
CID 155670242
phenyl propanoate
CID 161258381
[4-[(N'-methylcarbamimidoyl)amino]phenyl] propanoate
CID 68910088
(4-propanoylphenyl) propanoate
CID 19170728
CID 161494205
CID 161494205
[4-(aminomethyl)phenyl] propanoate
CID 23063742
[4-[(3R,4R)-4-(4-propanoyloxyphenyl)hexan-3-yl]phenyl] propanoate
CID 7005058
(4-cyanophenyl) propanoate
CID 643285
bis(4-acetamidophenyl) propanedioate
CID 58435595
acetamide;phenyl propanoate
CID 175120271
[4-(2-methylbutoxy)phenyl] propanoate
CID 174669628

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl] propanoate?
The IUPAC name of [4-(methylamino)phenyl] propanoate (CID 129013765) is [4-(methylamino)phenyl] propanoate.
What is the SMILES notation for [4-(methylamino)phenyl] propanoate?
The canonical SMILES for [4-(methylamino)phenyl] propanoate is CCC(=O)Oc1ccc(NC)cc1.
What is the InChIKey of [4-(methylamino)phenyl] propanoate?
The InChIKey is HKLVLVFIQXLBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-10(12)13-9-6-4-8(11-2)5-7-9/h4-7,11H,3H2,1-2H3.
What are the key properties of [4-(methylamino)phenyl] propanoate?
[4-(methylamino)phenyl] propanoate has a molecular weight of 179.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl] propanoate is sourced from PubChem (CID 129013765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).