2-(4-methoxyphenyl)-2-(propylamino)propanoic acid

C13H19NO3 — CID 43754043

IUPAC2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
SMILESCCCNC(C)(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-9-14-13(2,12(15)16)10-5-7-11(17-3)8-6-10/h5-8,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyZJWZBCOQCAJXHN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds6

About 2-(4-methoxyphenyl)-2-(propylamino)propanoic acid

2-(4-methoxyphenyl)-2-(propylamino)propanoic acid (PubChem CID 43754043) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
PubChem CID43754043
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
SMILESCCCNC(C)(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-9-14-13(2,12(15)16)10-5-7-11(17-3)8-6-10/h5-8,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyZJWZBCOQCAJXHN-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 114990603
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
CID 60994370
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
2-[4-(dimethylamino)phenyl]-2-(propylamino)propanoic acid
CID 54880652
2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 43753875
methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate
CID 54918211
2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366
2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 62540156
ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
CID 60795500
2-[3-(difluoromethoxy)phenyl]-2-(propylamino)propanoic acid
CID 43754107
2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid
CID 69226482

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(propylamino)propanoic acid?
The IUPAC name of 2-(4-methoxyphenyl)-2-(propylamino)propanoic acid (CID 43754043) is 2-(4-methoxyphenyl)-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(propylamino)propanoic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(propylamino)propanoic acid is CCCNC(C)(C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(propylamino)propanoic acid?
The InChIKey is ZJWZBCOQCAJXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-9-14-13(2,12(15)16)10-5-7-11(17-3)8-6-10/h5-8,14H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-methoxyphenyl)-2-(propylamino)propanoic acid?
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(propylamino)propanoic acid is sourced from PubChem (CID 43754043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).