2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid

C11H13NO2 — CID 66815445

IUPAC2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid
SMILESNC=CCc1ccccc1CC(=O)O
InChIInChI=1S/C11H13NO2/c12-7-3-6-9-4-1-2-5-10(9)8-11(13)14/h1-5,7H,6,8,12H2,(H,13,14)
InChIKeyPYQBKQDZCQGLQO-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.33
Rot. Bonds4

About 2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid

2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid (PubChem CID 66815445) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid
PubChem CID66815445
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid
SMILESNC=CCc1ccccc1CC(=O)O
InChIInChI=1S/C11H13NO2/c12-7-3-6-9-4-1-2-5-10(9)8-11(13)14/h1-5,7H,6,8,12H2,(H,13,14)
InChIKeyPYQBKQDZCQGLQO-UHFFFAOYSA-N
XLogP1.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminoprop-2-enyl)benzoic acid
CID 66692932
CID 172781001
CID 172781001
CID 172781038
CID 172781038
[2-(3-aminoprop-2-enyl)phenyl] carbamate
CID 69028728
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166
3-(2-pentylphenyl)prop-1-en-1-amine
CID 174793105
2-(2-propylphenyl)acetic acid
CID 46897017
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-(2-ethylphenyl)acetic acid;hydrate;hydrochloride
CID 67720112
2-[(E)-but-2-enyl]benzoic acid
CID 11217549
(Z)-5-(2-chlorophenyl)pent-3-enoic acid
CID 117267940

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid (CID 66815445) is 2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid is NC=CCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid?
The InChIKey is PYQBKQDZCQGLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-7-3-6-9-4-1-2-5-10(9)8-11(13)14/h1-5,7H,6,8,12H2,(H,13,14).
What are the key properties of 2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid?
2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid has a molecular weight of 191.23 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid is sourced from PubChem (CID 66815445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).