2-benzamido-3-(4-hydroxyphenyl)propanoate

C16H14NO4- — CID 53456337

IUPAC2-benzamido-3-(4-hydroxyphenyl)propanoate
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1
InChIInChI=1S/C16H15NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/p-1
InChIKeyKUUUDPTUEOKITK-UHFFFAOYSA-M
MW284.29 g/mol
LogP0.48
Rot. Bonds5

About 2-benzamido-3-(4-hydroxyphenyl)propanoate

2-benzamido-3-(4-hydroxyphenyl)propanoate (PubChem CID 53456337) has the molecular formula C16H14NO4- and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-benzamido-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name2-benzamido-3-(4-hydroxyphenyl)propanoate
PubChem CID53456337
Molecular FormulaC16H14NO4-
Molecular Weight284.29 g/mol
Exact Mass284.09
IUPAC Name2-benzamido-3-(4-hydroxyphenyl)propanoate
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1
InChIInChI=1S/C16H15NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/p-1
InChIKeyKUUUDPTUEOKITK-UHFFFAOYSA-M
XLogP0.48
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
4-[[(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoate
CID 86295165
4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoate
CID 4173129
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 174670536
sodium 4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoate
CID 23680486
tert-butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 139986804
N-[1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 87926791
butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 101068161
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
CID 2282453
(2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate
CID 6947599
(4-nitrophenyl) (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 100958295

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of 2-benzamido-3-(4-hydroxyphenyl)propanoate (CID 53456337) is 2-benzamido-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for 2-benzamido-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for 2-benzamido-3-(4-hydroxyphenyl)propanoate is O=C(NC(Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1.
What is the InChIKey of 2-benzamido-3-(4-hydroxyphenyl)propanoate?
The InChIKey is KUUUDPTUEOKITK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/p-1.
What are the key properties of 2-benzamido-3-(4-hydroxyphenyl)propanoate?
2-benzamido-3-(4-hydroxyphenyl)propanoate has a molecular weight of 284.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 53456337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).