2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid

C18H18N2O5 — CID 6914726

IUPAC2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(CNC(=O)c1ccc(O)cc1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H18N2O5/c21-14-8-6-13(7-9-14)17(23)19-11-16(22)20-15(18(24)25)10-12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,19,23)(H,20,22)(H,24,25)
InChIKeyQVYNBVYAPIHCJN-UHFFFAOYSA-N
MW342.35 g/mol
LogP0.93
Rot. Bonds7

About 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid

2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid (PubChem CID 6914726) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid
PubChem CID6914726
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(CNC(=O)c1ccc(O)cc1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H18N2O5/c21-14-8-6-13(7-9-14)17(23)19-11-16(22)20-15(18(24)25)10-12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,19,23)(H,20,22)(H,24,25)
InChIKeyQVYNBVYAPIHCJN-UHFFFAOYSA-N
XLogP0.93
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54193828
(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
(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 145458652
3-(4-hydroxyphenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
CID 3794429
(2S)-2-[[2-[[(2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 175957607
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid
CID 18235730
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 174670536
(2R)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
CID 6992405
(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 119367206
methyl (2S)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 2079908
4-hydroxy-N-[2-[[1-[[1-[[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
CID 67628230

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid (CID 6914726) is 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid is O=C(CNC(=O)c1ccc(O)cc1)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is QVYNBVYAPIHCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-14-8-6-13(7-9-14)17(23)19-11-16(22)20-15(18(24)25)10-12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,19,23)(H,20,22)(H,24,25).
What are the key properties of 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid?
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 342.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 6914726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).