(2S)-3-(4-aminophenyl)-2-methoxypropanoic acid

C10H13NO3 — CID 67008033

IUPAC(2S)-3-(4-aminophenyl)-2-methoxypropanoic acid
SMILESCO[C@@H](Cc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyQLJYLJGYIDIJPT-VIFPVBQESA-N
MW195.22 g/mol
LogP0.91
Rot. Bonds4

About (2S)-3-(4-aminophenyl)-2-methoxypropanoic acid

(2S)-3-(4-aminophenyl)-2-methoxypropanoic acid (PubChem CID 67008033) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-3-(4-aminophenyl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-aminophenyl)-2-methoxypropanoic acid
PubChem CID67008033
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S)-3-(4-aminophenyl)-2-methoxypropanoic acid
SMILESCO[C@@H](Cc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyQLJYLJGYIDIJPT-VIFPVBQESA-N
XLogP0.91
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 ≤ 103

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)-2-methoxy-3-phenylpropanoic acid
CID 72942339
barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 173177553
3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine
CID 173177710
(2S)-3-[4-(carboxymethoxy)phenyl]-2-methoxypropanoic acid
CID 141080172
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
(2S)-2-methoxy-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid
CID 141062469
(2S)-3-[4-(2-hydroxyethoxy)phenyl]-2-methoxypropanoic acid
CID 69421095
methyl 3-(4-aminophenyl)-2-propan-2-yloxypropanoate
CID 141068756
3-[3-(4-aminophenyl)propanoylamino]-2-methoxypropanoic acid
CID 106108939
2-methoxy-3-[4-(propanoylamino)phenyl]propanoic acid
CID 155057390
4-(2,2-dimethoxyethyl)aniline
CID 18173527
methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-aminophenyl)-2-methoxypropanoic acid?
The IUPAC name of (2S)-3-(4-aminophenyl)-2-methoxypropanoic acid (CID 67008033) is (2S)-3-(4-aminophenyl)-2-methoxypropanoic acid.
What is the SMILES notation for (2S)-3-(4-aminophenyl)-2-methoxypropanoic acid?
The canonical SMILES for (2S)-3-(4-aminophenyl)-2-methoxypropanoic acid is CO[C@@H](Cc1ccc(N)cc1)C(=O)O.
What is the InChIKey of (2S)-3-(4-aminophenyl)-2-methoxypropanoic acid?
The InChIKey is QLJYLJGYIDIJPT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-3-(4-aminophenyl)-2-methoxypropanoic acid?
(2S)-3-(4-aminophenyl)-2-methoxypropanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-aminophenyl)-2-methoxypropanoic acid is sourced from PubChem (CID 67008033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).