2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid

C11H13NO4 — CID 118994892

IUPAC2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid
SMILESCCC(=O)c1cccc(N)c1C(O)C(=O)O
InChIInChI=1S/C11H13NO4/c1-2-8(13)6-4-3-5-7(12)9(6)10(14)11(15)16/h3-5,10,14H,2,12H2,1H3,(H,15,16)
InChIKeyDFODOIQWAZHKNS-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.98
Rot. Bonds4

About 2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid

2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid (PubChem CID 118994892) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid
PubChem CID118994892
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid
SMILESCCC(=O)c1cccc(N)c1C(O)C(=O)O
InChIInChI=1S/C11H13NO4/c1-2-8(13)6-4-3-5-7(12)9(6)10(14)11(15)16/h3-5,10,14H,2,12H2,1H3,(H,15,16)
InChIKeyDFODOIQWAZHKNS-UHFFFAOYSA-N
XLogP0.98
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-6-propanoylphenyl)-2-hydroxyacetic acid
CID 135741057
1-(2,3-diaminophenyl)propan-1-one
CID 14773132
2-(2-bromo-3-propanoylphenyl)-2-hydroxyacetic acid
CID 119019109
2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid
CID 118991203
3-amino-2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)benzoic acid
CID 171866557
2-[2-bromo-6-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 118992549
2-aminobenzoic acid;propanoic acid
CID 67067565
2-hydroxy-2-(3-propanoyl-4-sulfanylphenyl)acetic acid
CID 118844351
methyl 2-amino-3-propanoylbenzoate
CID 134648415
benzene-1,2-diamine;propanoic acid
CID 158630762
2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid
CID 118850226
1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid (CID 118994892) is 2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid is CCC(=O)c1cccc(N)c1C(O)C(=O)O.
What is the InChIKey of 2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid?
The InChIKey is DFODOIQWAZHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-8(13)6-4-3-5-7(12)9(6)10(14)11(15)16/h3-5,10,14H,2,12H2,1H3,(H,15,16).
What are the key properties of 2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid?
2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 118994892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).