2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid

C11H13NO4 — CID 80741605

IUPAC2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
SMILESCC(Oc1ccccc1CC(=O)O)C(N)=O
InChIInChI=1S/C11H13NO4/c1-7(11(12)15)16-9-5-3-2-4-8(9)6-10(13)14/h2-5,7H,6H2,1H3,(H2,12,15)(H,13,14)
InChIKeyMPQGTFABEPFOBI-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.57
Rot. Bonds5

About 2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid

2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid (PubChem CID 80741605) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
PubChem CID80741605
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
SMILESCC(Oc1ccccc1CC(=O)O)C(N)=O
InChIInChI=1S/C11H13NO4/c1-7(11(12)15)16-9-5-3-2-4-8(9)6-10(13)14/h2-5,7H,6H2,1H3,(H2,12,15)(H,13,14)
InChIKeyMPQGTFABEPFOBI-UHFFFAOYSA-N
XLogP0.57
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 80741308
2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 80722346
2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid
CID 117054311
ethyl 2-[2-(bromomethyl)phenoxy]propanoate
CID 11808300
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
CID 103338014
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-(2-ethoxycarbonyloxyphenyl)acetic acid
CID 122517223
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
2-(2-ethylphenoxy)-N'-hydroxypropanimidamide
CID 76915107
2-(2,3-difluorophenoxy)propanamide
CID 63038540

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid (CID 80741605) is 2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid is CC(Oc1ccccc1CC(=O)O)C(N)=O.
What is the InChIKey of 2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid?
The InChIKey is MPQGTFABEPFOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(11(12)15)16-9-5-3-2-4-8(9)6-10(13)14/h2-5,7H,6H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid?
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 80741605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).