(4-hydroxyphenyl) 2-(methylamino)propanoate

C10H13NO3 — CID 77292098

IUPAC(4-hydroxyphenyl) 2-(methylamino)propanoate
SMILESCNC(C)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c1-7(11-2)10(13)14-9-5-3-8(12)4-6-9/h3-7,11-12H,1-2H3
InChIKeyCJTGNZRMFTWPED-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.91
Rot. Bonds3

About (4-hydroxyphenyl) 2-(methylamino)propanoate

(4-hydroxyphenyl) 2-(methylamino)propanoate (PubChem CID 77292098) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (4-hydroxyphenyl) 2-(methylamino)propanoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 2-(methylamino)propanoate
PubChem CID77292098
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(4-hydroxyphenyl) 2-(methylamino)propanoate
SMILESCNC(C)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c1-7(11-2)10(13)14-9-5-3-8(12)4-6-9/h3-7,11-12H,1-2H3
InChIKeyCJTGNZRMFTWPED-UHFFFAOYSA-N
XLogP0.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxyphenyl) 2-methylbutanoate
CID 14573373
(4-hydroxyphenyl) 2,2-diiodoacetate
CID 87220773
5-(4-hydroxyphenoxy)-2,4-dimethyl-5-oxopentanoic acid
CID 139447494
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
(4-hydroxyphenyl) 2-iodobutanoate
CID 126723622
(4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate
CID 166949920
phenyl 2-(hydroxyamino)propanoate
CID 88707618
(4-hydroxyphenyl) 3-methyl-2-methylidenebutanoate
CID 174714614
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate
CID 89217434
[2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate
CID 54042669
(4-hydroxyphenyl) 2-oxopropanoate
CID 22601056
[4-(4-hydroxybenzoyl)phenyl] N-methylcarbamate
CID 117058910

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 2-(methylamino)propanoate?
The IUPAC name of (4-hydroxyphenyl) 2-(methylamino)propanoate (CID 77292098) is (4-hydroxyphenyl) 2-(methylamino)propanoate.
What is the SMILES notation for (4-hydroxyphenyl) 2-(methylamino)propanoate?
The canonical SMILES for (4-hydroxyphenyl) 2-(methylamino)propanoate is CNC(C)C(=O)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) 2-(methylamino)propanoate?
The InChIKey is CJTGNZRMFTWPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(11-2)10(13)14-9-5-3-8(12)4-6-9/h3-7,11-12H,1-2H3.
What are the key properties of (4-hydroxyphenyl) 2-(methylamino)propanoate?
(4-hydroxyphenyl) 2-(methylamino)propanoate has a molecular weight of 195.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 2-(methylamino)propanoate is sourced from PubChem (CID 77292098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).