2-[2-(4-methylphenoxy)propanoylamino]butanoic acid

C14H19NO4 — CID 43387334

IUPAC2-[2-(4-methylphenoxy)propanoylamino]butanoic acid
SMILESCCC(NC(=O)C(C)Oc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-12(14(17)18)15-13(16)10(3)19-11-7-5-9(2)6-8-11/h5-8,10,12H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDGRGGMHPQRBFBX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.74
Rot. Bonds6

About 2-[2-(4-methylphenoxy)propanoylamino]butanoic acid

2-[2-(4-methylphenoxy)propanoylamino]butanoic acid (PubChem CID 43387334) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)propanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)propanoylamino]butanoic acid
PubChem CID43387334
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-(4-methylphenoxy)propanoylamino]butanoic acid
SMILESCCC(NC(=O)C(C)Oc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-12(14(17)18)15-13(16)10(3)19-11-7-5-9(2)6-8-11/h5-8,10,12H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDGRGGMHPQRBFBX-UHFFFAOYSA-N
XLogP1.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43630623
2-[2-(4-methylsulfanylphenoxy)propanoylamino]butanoic acid
CID 119223994
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242
N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 43419032
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
2-(4-fluorophenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328401
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932
3-methylsulfanyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 110189852
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)propanoylamino]butanoic acid?
The IUPAC name of 2-[2-(4-methylphenoxy)propanoylamino]butanoic acid (CID 43387334) is 2-[2-(4-methylphenoxy)propanoylamino]butanoic acid.
What is the SMILES notation for 2-[2-(4-methylphenoxy)propanoylamino]butanoic acid?
The canonical SMILES for 2-[2-(4-methylphenoxy)propanoylamino]butanoic acid is CCC(NC(=O)C(C)Oc1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-[2-(4-methylphenoxy)propanoylamino]butanoic acid?
The InChIKey is DGRGGMHPQRBFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-12(14(17)18)15-13(16)10(3)19-11-7-5-9(2)6-8-11/h5-8,10,12H,4H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(4-methylphenoxy)propanoylamino]butanoic acid?
2-[2-(4-methylphenoxy)propanoylamino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)propanoylamino]butanoic acid is sourced from PubChem (CID 43387334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).