3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid

C17H25NO3 — CID 106204230

IUPAC3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid
SMILESCCCNC(COCCC1CC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-2-11-18-17(16(19)20,15-6-4-3-5-7-15)13-21-12-10-14-8-9-14/h3-7,14,18H,2,8-13H2,1H3,(H,19,20)
InChIKeyJEZFVMPMVYDLNZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.78
Rot. Bonds10

About 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid

3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid (PubChem CID 106204230) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid
PubChem CID106204230
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid
SMILESCCCNC(COCCC1CC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-2-11-18-17(16(19)20,15-6-4-3-5-7-15)13-21-12-10-14-8-9-14/h3-7,14,18H,2,8-13H2,1H3,(H,19,20)
InChIKeyJEZFVMPMVYDLNZ-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.78
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

3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid
CID 62140296
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 82007199
3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
CID 102607406
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 106204090
3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 106206861
methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
CID 106204595
4-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)butanoic acid
CID 116694434
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
CID 62140295
2-(cyclopropylmethylamino)-2-phenylpentanamide
CID 54890154
2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid
CID 116693516
4-(oxetan-3-ylsulfanyl)-2-phenyl-2-(propylamino)butanoic acid
CID 116694802
2-phenyl-2-(propylamino)-4-pyrazol-1-ylbutanoic acid
CID 116693975

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid?
The IUPAC name of 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid (CID 106204230) is 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid?
The canonical SMILES for 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid is CCCNC(COCCC1CC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid?
The InChIKey is JEZFVMPMVYDLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-11-18-17(16(19)20,15-6-4-3-5-7-15)13-21-12-10-14-8-9-14/h3-7,14,18H,2,8-13H2,1H3,(H,19,20).
What are the key properties of 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid?
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid is sourced from PubChem (CID 106204230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).