2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid

C10H11NO3 — CID 91115166

IUPAC2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
SMILESNC(=O)Cc1ccccc1CC(=O)O
InChIInChI=1S/C10H11NO3/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14/h1-4H,5-6H2,(H2,11,12)(H,13,14)
InChIKeyBJUMHARDUWZBFX-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.34
Rot. Bonds4

About 2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid

2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid (PubChem CID 91115166) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
PubChem CID91115166
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
SMILESNC(=O)Cc1ccccc1CC(=O)O
InChIInChI=1S/C10H11NO3/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14/h1-4H,5-6H2,(H2,11,12)(H,13,14)
InChIKeyBJUMHARDUWZBFX-UHFFFAOYSA-N
XLogP0.34
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-[2-(2-oxopropyl)phenyl]acetamide
CID 174561343
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide
CID 139707024
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-(2-ethylphenyl)acetic acid;hydrate;hydrochloride
CID 67720112
2-(2-ethynylphenyl)acetamide
CID 53342997
2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid
CID 66815445
2-(2-propan-2-ylphenyl)acetamide
CID 22163985
2-[2-(difluoromethyl)phenyl]acetamide
CID 175751823

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid (CID 91115166) is 2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid is NC(=O)Cc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid?
The InChIKey is BJUMHARDUWZBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14/h1-4H,5-6H2,(H2,11,12)(H,13,14).
What are the key properties of 2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid?
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid has a molecular weight of 193.20 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid is sourced from PubChem (CID 91115166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).