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

C14H19NO4 — CID 2049204

IUPAC(2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid
SMILESCC(C)C[C@H](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)/t12-/m0/s1
InChIKeyZNYXSEBGUZEHKU-LBPRGKRZSA-N
MW265.31 g/mol
LogP1.68
Rot. Bonds7

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

(2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid (PubChem CID 2049204) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid
PubChem CID2049204
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid
SMILESCC(C)C[C@H](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)/t12-/m0/s1
InChIKeyZNYXSEBGUZEHKU-LBPRGKRZSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid (CID 2049204) is (2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid is CC(C)C[C@H](NC(=O)COc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid?
The InChIKey is ZNYXSEBGUZEHKU-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid?
(2S)-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 (2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoic acid is sourced from PubChem (CID 2049204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).