2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid

C11H13NO4 — CID 63689636

IUPAC2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid
SMILESCN(C=O)C(C)(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H13NO4/c1-11(10(15)16,12(2)7-13)8-4-3-5-9(14)6-8/h3-7,14H,1-2H3,(H,15,16)
InChIKeyKKVHNMORHFIWQM-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.78
Rot. Bonds4

About 2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid

2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid (PubChem CID 63689636) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid
PubChem CID63689636
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid
SMILESCN(C=O)C(C)(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H13NO4/c1-11(10(15)16,12(2)7-13)8-4-3-5-9(14)6-8/h3-7,14H,1-2H3,(H,15,16)
InChIKeyKKVHNMORHFIWQM-UHFFFAOYSA-N
XLogP0.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[formyl(propyl)amino]-2-(3-hydroxyphenyl)propanoic acid
CID 55232605
2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid
CID 55231810
2-(1,3-benzodioxol-5-yl)-2-[formyl(methyl)amino]propanoic acid
CID 63688333
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[formyl(methyl)amino]propanoic acid
CID 63689259
(2S)-2-amino-2-chloro-2-(3-hydroxyphenyl)acetic acid
CID 101081990
2-fluoro-2-(3-hydroxyphenyl)propanal
CID 105433688
(E)-4-(3-hydroxyphenyl)-4-methylpent-2-enoic acid
CID 23439961
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
2-(3-hydroxyphenyl)-2-methylpentanoic acid
CID 150101497
2-acetamido-2-(3-hydroxyphenyl)propanoic acid
CID 63702146
2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid
CID 83833276
2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid (CID 63689636) is 2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid is CN(C=O)C(C)(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid?
The InChIKey is KKVHNMORHFIWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-11(10(15)16,12(2)7-13)8-4-3-5-9(14)6-8/h3-7,14H,1-2H3,(H,15,16).
What are the key properties of 2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid?
2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 63689636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).