2-aminoprop-2-enoic acid;styrene

C11H13NO2 — CID 19903042

IUPAC2-aminoprop-2-enoic acid;styrene
SMILESC=C(N)C(=O)O.C=Cc1ccccc1
InChIInChI=1S/C8H8.C3H5NO2/c1-2-8-6-4-3-5-7-8;1-2(4)3(5)6/h2-7H,1H2;1,4H2,(H,5,6)
InChIKeyXRRIRUOIOURNIL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.87
Rot. Bonds2

About 2-aminoprop-2-enoic acid;styrene

2-aminoprop-2-enoic acid;styrene (PubChem CID 19903042) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-aminoprop-2-enoic acid;styrene.

Molecular Properties

Compound Name2-aminoprop-2-enoic acid;styrene
PubChem CID19903042
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-aminoprop-2-enoic acid;styrene
SMILESC=C(N)C(=O)O.C=Cc1ccccc1
InChIInChI=1S/C8H8.C3H5NO2/c1-2-8-6-4-3-5-7-8;1-2(4)3(5)6/h2-7H,1H2;1,4H2,(H,5,6)
InChIKeyXRRIRUOIOURNIL-UHFFFAOYSA-N
XLogP1.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-aminoprop-2-enoic acid;styrene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminoprop-2-enoic acid;styrene?
The IUPAC name of 2-aminoprop-2-enoic acid;styrene (CID 19903042) is 2-aminoprop-2-enoic acid;styrene.
What is the SMILES notation for 2-aminoprop-2-enoic acid;styrene?
The canonical SMILES for 2-aminoprop-2-enoic acid;styrene is C=C(N)C(=O)O.C=Cc1ccccc1.
What is the InChIKey of 2-aminoprop-2-enoic acid;styrene?
The InChIKey is XRRIRUOIOURNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C3H5NO2/c1-2-8-6-4-3-5-7-8;1-2(4)3(5)6/h2-7H,1H2;1,4H2,(H,5,6).
What are the key properties of 2-aminoprop-2-enoic acid;styrene?
2-aminoprop-2-enoic acid;styrene has a molecular weight of 191.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoprop-2-enoic acid;styrene is sourced from PubChem (CID 19903042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).