4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid

C14H19NO4 — CID 2770853

IUPAC4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)COc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-10(2)8-12(14(17)18)15-13(16)9-19-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZNYXSEBGUZEHKU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.68
Rot. Bonds7

About 4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid

4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid (PubChem CID 2770853) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid
PubChem CID2770853
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)COc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-10(2)8-12(14(17)18)15-13(16)9-19-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZNYXSEBGUZEHKU-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

(2S)-2-[3-(4-methoxyphenyl)prop-2-enamido]-3-methylbutanoic acid
CID 2517552
3-Methyl-2-(2-phenoxyacetamido)butanoic acid
CID 2942249
N-Acetyl-O-benzyl-L-tyrosine
CID 71454723
(2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
CID 749024
Methyl N-(phenoxycarbonyl)-L-valinate
CID 60952
O-benzyl-N-(carboxycarbonyl)-D-tyrosine
CID 44820611
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035
N-(Phenoxyacetyl)methionine
CID 3688853
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4216860
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 24686871
(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methyl-18-phenoxyoctadeca-5,8,11,14-tetraenamide
CID 145978222
Sinuxylamide B
CID 164615332

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid (CID 2770853) is 4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid is CC(C)CC(NC(=O)COc1ccccc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid?
The InChIKey is ZNYXSEBGUZEHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)8-12(14(17)18)15-13(16)9-19-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid?
4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic 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 4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid is sourced from PubChem (CID 2770853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).