(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid

C14H19NO4 — CID 59096129

IUPAC(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
SMILESCC(C)OCC(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-10(2)19-9-13(16)15-12(14(17)18)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m1/s1
InChIKeyAXSGMJUXDMAFLV-GFCCVEGCSA-N
MW265.31 g/mol
LogP1.22
Rot. Bonds7

About (2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid

(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid (PubChem CID 59096129) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
PubChem CID59096129
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
SMILESCC(C)OCC(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-10(2)19-9-13(16)15-12(14(17)18)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m1/s1
InChIKeyAXSGMJUXDMAFLV-GFCCVEGCSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-hydroxyphenyl)-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 103940319
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781042
(2R)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781041
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
(2S)-3-(1H-indol-3-yl)-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096141
(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 104902054
(2S)-2-[(2-pentoxyacetyl)amino]-3-phenylpropanoic acid
CID 119366667
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
2-[[2-(4-acetyloxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 23218299
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid (CID 59096129) is (2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid is CC(C)OCC(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid?
The InChIKey is AXSGMJUXDMAFLV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)19-9-13(16)15-12(14(17)18)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid?
(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid is sourced from PubChem (CID 59096129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).