(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid

C13H17NO5 — CID 124781042

IUPAC(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(COCCO)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO5/c15-6-7-19-9-12(16)14-11(13(17)18)8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyZHDAZVRBWOZTDR-NSHDSACASA-N
MW267.28 g/mol
LogP-0.19
Rot. Bonds8

About (2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid

(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 124781042) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
PubChem CID124781042
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(COCCO)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO5/c15-6-7-19-9-12(16)14-11(13(17)18)8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyZHDAZVRBWOZTDR-NSHDSACASA-N
XLogP-0.19
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.19
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

(2R)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781041
(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 104902054
(2S)-2-[(2-pentoxyacetyl)amino]-3-phenylpropanoic acid
CID 119366667
(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
(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
(2S)-2-[3-[2-(2-hydroxyethoxy)ethylamino]butanoylamino]-3-phenylpropanoic acid
CID 56645626
(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096129
(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid
CID 174617548
(2R)-3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119366917
3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119165871
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid (CID 124781042) is (2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid is O=C(COCCO)N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is ZHDAZVRBWOZTDR-NSHDSACASA-N. The full InChI is InChI=1S/C13H17NO5/c15-6-7-19-9-12(16)14-11(13(17)18)8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,16)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid?
(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 267.28 g/mol, XLogP of -0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 124781042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).