2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid

C11H13NO5 — CID 12508749

IUPAC2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid
SMILESCCOC(=O)NC(C(=O)O)c1ccccc1O
InChIInChI=1S/C11H13NO5/c1-2-17-11(16)12-9(10(14)15)7-5-3-4-6-8(7)13/h3-6,9,13H,2H2,1H3,(H,12,16)(H,14,15)
InChIKeyWIZIJKJAZCKDAN-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.26
Rot. Bonds4

About 2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid

2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid (PubChem CID 12508749) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid
PubChem CID12508749
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid
SMILESCCOC(=O)NC(C(=O)O)c1ccccc1O
InChIInChI=1S/C11H13NO5/c1-2-17-11(16)12-9(10(14)15)7-5-3-4-6-8(7)13/h3-6,9,13H,2H2,1H3,(H,12,16)(H,14,15)
InChIKeyWIZIJKJAZCKDAN-UHFFFAOYSA-N
XLogP1.26
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 12508747
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid
CID 67681824
ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate
CID 7315555
2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432
ethoxycarbonyl (2S)-2-(ethoxycarbonylamino)-2-phenylacetate
CID 102234074
2-(ethylamino)-2-(2-hydroxyphenyl)acetamide
CID 116684884
2-[1-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 141037281
ethyl N-[cyano(phenyl)methyl]carbamate
CID 60763548
[(2S)-3-methylbutan-2-yl] 2-(ethoxycarbonylamino)-2-phenylacetate
CID 91750971
ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
CID 11183417

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid (CID 12508749) is 2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid is CCOC(=O)NC(C(=O)O)c1ccccc1O.
What is the InChIKey of 2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid?
The InChIKey is WIZIJKJAZCKDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-2-17-11(16)12-9(10(14)15)7-5-3-4-6-8(7)13/h3-6,9,13H,2H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid?
2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid has a molecular weight of 239.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 12508749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).