4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid

C16H23NO4 — CID 62042624

IUPAC4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid
SMILESCCC(Oc1ccccc1)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C16H23NO4/c1-4-13(21-12-8-6-5-7-9-12)15(20)17-16(2,3)11-10-14(18)19/h5-9,13H,4,10-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyRJIJJEDBJGGHRQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.60
Rot. Bonds8

About 4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid

4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid (PubChem CID 62042624) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid
PubChem CID62042624
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid
SMILESCCC(Oc1ccccc1)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C16H23NO4/c1-4-13(21-12-8-6-5-7-9-12)15(20)17-16(2,3)11-10-14(18)19/h5-9,13H,4,10-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyRJIJJEDBJGGHRQ-UHFFFAOYSA-N
XLogP2.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide
CID 106166979
4-(2-phenoxybutanoylamino)butanoic acid
CID 43091993
(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
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
methyl 2-(2-phenoxybutanoylamino)acetate
CID 4239659
(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide
CID 873676
2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 133164242
decanedioic acid;2-phenoxybutanoic acid
CID 69302201
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
N-(2-methylprop-2-enyl)-2-phenoxybutanamide
CID 114618279

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid (CID 62042624) is 4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid is CCC(Oc1ccccc1)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid?
The InChIKey is RJIJJEDBJGGHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-13(21-12-8-6-5-7-9-12)15(20)17-16(2,3)11-10-14(18)19/h5-9,13H,4,10-11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid?
4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid is sourced from PubChem (CID 62042624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).