2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid

C13H17NO4 — CID 136552804

IUPAC2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
SMILESCCN(C(=O)Cc1ccc(O)cc1)C(C)C(=O)O
InChIInChI=1S/C13H17NO4/c1-3-14(9(2)13(17)18)12(16)8-10-4-6-11(15)7-5-10/h4-7,9,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyXSUBSNODVOLSRL-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.26
Rot. Bonds5

About 2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid

2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid (PubChem CID 136552804) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
PubChem CID136552804
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
SMILESCCN(C(=O)Cc1ccc(O)cc1)C(C)C(=O)O
InChIInChI=1S/C13H17NO4/c1-3-14(9(2)13(17)18)12(16)8-10-4-6-11(15)7-5-10/h4-7,9,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyXSUBSNODVOLSRL-UHFFFAOYSA-N
XLogP1.26
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468
(2S)-2-[acetyl(ethyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54080128
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
3-[ethyl-[2-(4-nitrophenyl)acetyl]amino]butanoic acid
CID 62821560
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
2-ethyl-3-[(4-hydroxyphenyl)methyl]but-2-enedioic acid
CID 66648835
2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide
CID 119786192
3-[ethyl-(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 62822072
N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide
CID 66181882
(2R)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 28934153
3-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]butanoic acid
CID 62822279

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid (CID 136552804) is 2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid is CCN(C(=O)Cc1ccc(O)cc1)C(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is XSUBSNODVOLSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-14(9(2)13(17)18)12(16)8-10-4-6-11(15)7-5-10/h4-7,9,15H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid?
2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 136552804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).