3-(3-methoxypropylamino)-2-phenylpropanoic acid

C13H19NO3 — CID 64565855

IUPAC3-(3-methoxypropylamino)-2-phenylpropanoic acid
SMILESCOCCCNCC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-17-9-5-8-14-10-12(13(15)16)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3,(H,15,16)
InChIKeyUUUHZPZHRASOCD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.48
Rot. Bonds8

About 3-(3-methoxypropylamino)-2-phenylpropanoic acid

3-(3-methoxypropylamino)-2-phenylpropanoic acid (PubChem CID 64565855) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(3-methoxypropylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(3-methoxypropylamino)-2-phenylpropanoic acid
PubChem CID64565855
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(3-methoxypropylamino)-2-phenylpropanoic acid
SMILESCOCCCNCC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-17-9-5-8-14-10-12(13(15)16)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3,(H,15,16)
InChIKeyUUUHZPZHRASOCD-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(4-methoxybutylamino)-2-phenylpropanoate
CID 64560952
3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid
CID 106305496
3-(3-methoxypropylsulfonylamino)-2-phenylpropanoic acid
CID 63290449
N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
CID 54935460
N-(2,2-diphenylethyl)-4-methoxybutan-1-amine
CID 103896916
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
2-phenyl-3-(2-phenylethylamino)propanoic acid
CID 64564787
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480
3-(2-methoxyethoxy)-2-phenylpropanoic acid
CID 63073447
3-(3-methylsulfanylbutylamino)-2-phenylpropanoic acid
CID 113493975
3-(cyclopropylmethylamino)-2-phenylpropanoic acid
CID 64565407
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylamino)-2-phenylpropanoic acid?
The IUPAC name of 3-(3-methoxypropylamino)-2-phenylpropanoic acid (CID 64565855) is 3-(3-methoxypropylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(3-methoxypropylamino)-2-phenylpropanoic acid?
The canonical SMILES for 3-(3-methoxypropylamino)-2-phenylpropanoic acid is COCCCNCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(3-methoxypropylamino)-2-phenylpropanoic acid?
The InChIKey is UUUHZPZHRASOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-17-9-5-8-14-10-12(13(15)16)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3,(H,15,16).
What are the key properties of 3-(3-methoxypropylamino)-2-phenylpropanoic acid?
3-(3-methoxypropylamino)-2-phenylpropanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 64565855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).