2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid

C12H13NO6 — CID 142628351

IUPAC2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid
SMILESCC(=O)Nc1ccc(OCC(=O)O)c(CC(=O)O)c1
InChIInChI=1S/C12H13NO6/c1-7(14)13-9-2-3-10(19-6-12(17)18)8(4-9)5-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyOSEZWNVZIWTXJV-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.74
Rot. Bonds6

About 2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid

2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid (PubChem CID 142628351) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid
PubChem CID142628351
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid
SMILESCC(=O)Nc1ccc(OCC(=O)O)c(CC(=O)O)c1
InChIInChI=1S/C12H13NO6/c1-7(14)13-9-2-3-10(19-6-12(17)18)8(4-9)5-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyOSEZWNVZIWTXJV-UHFFFAOYSA-N
XLogP0.74
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
CID 90901057
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
2-(2-acetamido-4-chlorophenoxy)acetic acid
CID 59772130
N-(4-phenylmethoxy-3-propylphenyl)acetamide
CID 57080743
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-(5-acetamido-2-phenylphenyl)acetic acid
CID 11708801
2-[5-acetamido-2-(carboxymethoxy)phenyl]-2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
CID 15236527
N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
CID 66916731
2-(5-acetamido-2-nitrophenyl)acetic acid
CID 86172139
2-[5-acetamido-2-(1,3-benzothiazol-2-yl)phenoxy]acetic acid
CID 28692152

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid?
The IUPAC name of 2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid (CID 142628351) is 2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid is CC(=O)Nc1ccc(OCC(=O)O)c(CC(=O)O)c1.
What is the InChIKey of 2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid?
The InChIKey is OSEZWNVZIWTXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6/c1-7(14)13-9-2-3-10(19-6-12(17)18)8(4-9)5-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid?
2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid has a molecular weight of 267.24 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid is sourced from PubChem (CID 142628351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).