2-phenyl-2-(3-propoxypropanoylamino)propanoic acid

C15H21NO4 — CID 62717159

IUPAC2-phenyl-2-(3-propoxypropanoylamino)propanoic acid
SMILESCCCOCCC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-3-10-20-11-9-13(17)16-15(2,14(18)19)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyTZBRVTBSJJSCAW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.92
Rot. Bonds8

About 2-phenyl-2-(3-propoxypropanoylamino)propanoic acid

2-phenyl-2-(3-propoxypropanoylamino)propanoic acid (PubChem CID 62717159) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-phenyl-2-(3-propoxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-(3-propoxypropanoylamino)propanoic acid
PubChem CID62717159
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-phenyl-2-(3-propoxypropanoylamino)propanoic acid
SMILESCCCOCCC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-3-10-20-11-9-13(17)16-15(2,14(18)19)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyTZBRVTBSJJSCAW-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.92
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

2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid
CID 66656181
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
2-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 62679681
2-methyl-2-phenyl-3-propoxypropanoic acid
CID 175070195
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid
CID 43457126
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984964
N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide
CID 56522602

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(3-propoxypropanoylamino)propanoic acid?
The IUPAC name of 2-phenyl-2-(3-propoxypropanoylamino)propanoic acid (CID 62717159) is 2-phenyl-2-(3-propoxypropanoylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-2-(3-propoxypropanoylamino)propanoic acid?
The canonical SMILES for 2-phenyl-2-(3-propoxypropanoylamino)propanoic acid is CCCOCCC(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(3-propoxypropanoylamino)propanoic acid?
The InChIKey is TZBRVTBSJJSCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-10-20-11-9-13(17)16-15(2,14(18)19)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-phenyl-2-(3-propoxypropanoylamino)propanoic acid?
2-phenyl-2-(3-propoxypropanoylamino)propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(3-propoxypropanoylamino)propanoic acid is sourced from PubChem (CID 62717159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).