2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid

C14H19NO5 — CID 106107518

IUPAC2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
SMILESCOC(CNC(=O)CCCOc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-19-12(14(17)18)10-15-13(16)8-5-9-20-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyGHWZSVOMFAYYDM-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.06
Rot. Bonds9

About 2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid

2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid (PubChem CID 106107518) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
PubChem CID106107518
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
SMILESCOC(CNC(=O)CCCOc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-19-12(14(17)18)10-15-13(16)8-5-9-20-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyGHWZSVOMFAYYDM-UHFFFAOYSA-N
XLogP1.06
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107648
3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
CID 103152721
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
CID 107261214
2-methoxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 114144206
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid (CID 106107518) is 2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid is COC(CNC(=O)CCCOc1ccccc1)C(=O)O.
What is the InChIKey of 2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid?
The InChIKey is GHWZSVOMFAYYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-12(14(17)18)10-15-13(16)8-5-9-20-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid?
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid is sourced from PubChem (CID 106107518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).