2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid

C11H13NO3 — CID 116684987

IUPAC2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid
SMILESC=CCNC(C(=O)O)c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-2-7-12-10(11(14)15)8-5-3-4-6-9(8)13/h2-6,10,12-13H,1,7H2,(H,14,15)
InChIKeyMNSRMRXDSJLXFQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.29
Rot. Bonds5

About 2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid

2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid (PubChem CID 116684987) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid
PubChem CID116684987
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid
SMILESC=CCNC(C(=O)O)c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-2-7-12-10(11(14)15)8-5-3-4-6-9(8)13/h2-6,10,12-13H,1,7H2,(H,14,15)
InChIKeyMNSRMRXDSJLXFQ-UHFFFAOYSA-N
XLogP1.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432
2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid
CID 129275046
2-[2-[[2-amino-1-(2-hydroxyphenyl)-2-oxoethyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 71300819
2-(5-hydroxypentylamino)-2-(2-hydroxyphenyl)acetic acid
CID 158765005
2-[2-[[formyloxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 58038872
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
2-[3-(difluoromethyl)phenyl]-2-(prop-2-enylamino)acetic acid
CID 115527096
2-[1-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 141037281
2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid
CID 62354053
2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid
CID 12508749
2-(2-hydroxyphenyl)-2-[2-[1H-imidazol-2-yl(methyl)amino]ethylamino]acetic acid
CID 67157077
2-(3-bromo-4-chlorophenyl)-2-(prop-2-enylamino)acetic acid
CID 83230793

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid?
The IUPAC name of 2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid (CID 116684987) is 2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid is C=CCNC(C(=O)O)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid?
The InChIKey is MNSRMRXDSJLXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-7-12-10(11(14)15)8-5-3-4-6-9(8)13/h2-6,10,12-13H,1,7H2,(H,14,15).
What are the key properties of 2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid?
2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid is sourced from PubChem (CID 116684987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).