2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid

C12H16N2O4 — CID 82314595

IUPAC2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
SMILESCC(=O)Nc1ccc(C(O)CNCC(=O)O)cc1
InChIInChI=1S/C12H16N2O4/c1-8(15)14-10-4-2-9(3-5-10)11(16)6-13-7-12(17)18/h2-5,11,13,16H,6-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyQNZBCRDPRHIGNN-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.35
Rot. Bonds6

About 2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid

2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid (PubChem CID 82314595) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
PubChem CID82314595
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
SMILESCC(=O)Nc1ccc(C(O)CNCC(=O)O)cc1
InChIInChI=1S/C12H16N2O4/c1-8(15)14-10-4-2-9(3-5-10)11(16)6-13-7-12(17)18/h2-5,11,13,16H,6-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyQNZBCRDPRHIGNN-UHFFFAOYSA-N
XLogP0.35
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid
CID 82315419
N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide
CID 22563212
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
3,3-bis(4-acetamidophenyl)propanoic acid
CID 20632812
N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide
CID 86739754
2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid
CID 82314656
N-(4-chlorophenyl)-2-[(2-hydroxy-2-phenylethyl)amino]acetamide
CID 43389783
2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid
CID 82315710
3-[[1-(4-acetamidophenyl)-1-hydroxypropan-2-yl]amino]propanoic acid
CID 82314646
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
4-(4-acetamidophenyl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348713

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid (CID 82314595) is 2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid is CC(=O)Nc1ccc(C(O)CNCC(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid?
The InChIKey is QNZBCRDPRHIGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(15)14-10-4-2-9(3-5-10)11(16)6-13-7-12(17)18/h2-5,11,13,16H,6-7H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid?
2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid is sourced from PubChem (CID 82314595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).