(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid

C13H18N2O4 — CID 104902054

IUPAC(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid
SMILESNCCOCC(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c14-6-7-19-9-12(16)15-11(13(17)18)8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyZHZGQJDVGYDUKQ-LLVKDONJSA-N
MW266.30 g/mol
LogP-0.23
Rot. Bonds8

About (2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid

(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 104902054) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid
PubChem CID104902054
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid
SMILESNCCOCC(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c14-6-7-19-9-12(16)15-11(13(17)18)8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyZHZGQJDVGYDUKQ-LLVKDONJSA-N
XLogP-0.23
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(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-pentoxyacetyl)amino]-3-phenylpropanoic acid
CID 119366667
2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107863070
(2S)-3-phenyl-2-[[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]propanoic acid
CID 101380651
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096129
2-(2-aminoethoxyamino)-3-phenylpropanoic acid
CID 174702432
(2S)-3-phenyl-2-(3-phenylpropoxycarbonylamino)propanoic acid
CID 167455758
N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide
CID 107941600

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid (CID 104902054) is (2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid is NCCOCC(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is ZHZGQJDVGYDUKQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O4/c14-6-7-19-9-12(16)15-11(13(17)18)8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 104902054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).