2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid

C16H15NO5 — CID 22106655

IUPAC2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H15NO5/c18-12-5-1-10(2-6-12)15(16(22)17-9-14(20)21)11-3-7-13(19)8-4-11/h1-8,15,18-19H,9H2,(H,17,22)(H,20,21)
InChIKeyDDRNCKYTHQTCJU-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.43
Rot. Bonds5

About 2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid

2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid (PubChem CID 22106655) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid
PubChem CID22106655
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H15NO5/c18-12-5-1-10(2-6-12)15(16(22)17-9-14(20)21)11-3-7-13(19)8-4-11/h1-8,15,18-19H,9H2,(H,17,22)(H,20,21)
InChIKeyDDRNCKYTHQTCJU-UHFFFAOYSA-N
XLogP1.43
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-(chloroamino)-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid
CID 177460620
2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetic acid
CID 5060023
2-[2-(4-bromophenyl)propanoylamino]acetic acid
CID 120513559
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
CID 3478136
3-amino-4-[[1-[[1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18254053
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid
CID 18492200
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid
CID 61236394
azane;2-(4-hydroxyanilino)acetic acid
CID 70465187
N-[2-(N-methylanilino)-2-oxoethyl]-2,2-diphenylacetamide
CID 112996260
2-amino-5-[[1-(carboxymethylamino)-3-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 131699009

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid (CID 22106655) is 2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid is O=C(O)CNC(=O)C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid?
The InChIKey is DDRNCKYTHQTCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c18-12-5-1-10(2-6-12)15(16(22)17-9-14(20)21)11-3-7-13(19)8-4-11/h1-8,15,18-19H,9H2,(H,17,22)(H,20,21).
What are the key properties of 2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid?
2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid has a molecular weight of 301.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 22106655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).