2-methyl-3-(2-phenoxybutanoylamino)propanoic acid

C14H19NO4 — CID 62676386

IUPAC2-methyl-3-(2-phenoxybutanoylamino)propanoic acid
SMILESCCC(Oc1ccccc1)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-12(19-11-7-5-4-6-8-11)13(16)15-9-10(2)14(17)18/h4-8,10,12H,3,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySFZKUZZPXMSGKH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.68
Rot. Bonds7

About 2-methyl-3-(2-phenoxybutanoylamino)propanoic acid

2-methyl-3-(2-phenoxybutanoylamino)propanoic acid (PubChem CID 62676386) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-3-(2-phenoxybutanoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-phenoxybutanoylamino)propanoic acid
PubChem CID62676386
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-methyl-3-(2-phenoxybutanoylamino)propanoic acid
SMILESCCC(Oc1ccccc1)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-12(19-11-7-5-4-6-8-11)13(16)15-9-10(2)14(17)18/h4-8,10,12H,3,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySFZKUZZPXMSGKH-UHFFFAOYSA-N
XLogP1.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492
3-methyl-2-[(2-phenoxybutanoylamino)methyl]butanoic acid
CID 65220479
N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
CID 102914465
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
CID 40579725
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide
CID 2165377
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914
methyl 2-(2-phenoxybutanoylamino)acetate
CID 4239659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenoxybutanoylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(2-phenoxybutanoylamino)propanoic acid (CID 62676386) is 2-methyl-3-(2-phenoxybutanoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-phenoxybutanoylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-phenoxybutanoylamino)propanoic acid is CCC(Oc1ccccc1)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-phenoxybutanoylamino)propanoic acid?
The InChIKey is SFZKUZZPXMSGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-12(19-11-7-5-4-6-8-11)13(16)15-9-10(2)14(17)18/h4-8,10,12H,3,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-3-(2-phenoxybutanoylamino)propanoic acid?
2-methyl-3-(2-phenoxybutanoylamino)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenoxybutanoylamino)propanoic acid is sourced from PubChem (CID 62676386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).