(2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid

C11H13NO4 — CID 57182307

IUPAC(2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid
SMILESCC(=O)Nc1ccc([C@@H](O)C(=O)O)cc1C
InChIInChI=1S/C11H13NO4/c1-6-5-8(10(14)11(15)16)3-4-9(6)12-7(2)13/h3-5,10,14H,1-2H3,(H,12,13)(H,15,16)/t10-/m1/s1
InChIKeyZNRYCZJEDSXAHH-SNVBAGLBSA-N
MW223.23 g/mol
LogP1.07
Rot. Bonds3

About (2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid

(2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid (PubChem CID 57182307) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid
PubChem CID57182307
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid
SMILESCC(=O)Nc1ccc([C@@H](O)C(=O)O)cc1C
InChIInChI=1S/C11H13NO4/c1-6-5-8(10(14)11(15)16)3-4-9(6)12-7(2)13/h3-5,10,14H,1-2H3,(H,12,13)(H,15,16)/t10-/m1/s1
InChIKeyZNRYCZJEDSXAHH-SNVBAGLBSA-N
XLogP1.07
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide
CID 142207659
(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
CID 57154315
2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 117307670
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
(E)-3-(4-acetamido-3-methylphenyl)prop-2-enoic acid
CID 18321824
ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide
CID 156850007
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid
CID 131420861
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid
CID 82408630
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid (CID 57182307) is (2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid is CC(=O)Nc1ccc([C@@H](O)C(=O)O)cc1C.
What is the InChIKey of (2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is ZNRYCZJEDSXAHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6-5-8(10(14)11(15)16)3-4-9(6)12-7(2)13/h3-5,10,14H,1-2H3,(H,12,13)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid?
(2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 223.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 57182307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).